data_1vcs_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 1vcs _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 ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.535 0.207 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -40.73 -56.77 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.9 -65.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.82 -67.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 59.9 t80 -41.51 -57.54 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.69 -52.53 8.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.7 -45.96 82.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.16 -68.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.52 HG23 ' CE1' ' A' ' 14' ' ' PHE . 25.6 p -38.87 -48.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.58 -66.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -34.99 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 94.5 mt -70.74 -63.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -39.55 -49.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -56.29 -55.02 38.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -56.14 -35.59 67.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.46 ' CD1' HD21 ' A' ' 86' ' ' LEU . 63.8 mt -63.73 -34.7 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.44 59.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -20.35 18.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.79 -50.82 75.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 1.31 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -125.21 17.07 8.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.19 157.17 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.02 169.33 22.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.76 -32.04 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.05 -22.18 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 41.2 tttt -67.73 -58.48 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.48 -54.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' ASN . 31.8 mm-40 -66.19 -46.68 76.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 36.0 tpp -54.48 -50.59 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 t -56.27 -20.08 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 -39.04 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.3 t30 -57.92 -33.29 68.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.8 t -75.93 -31.45 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -60.24 2.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HB3' ' CD1' ' A' ' 21' ' ' ILE . 2.1 mp0 -51.43 -28.06 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.7 pt-20 -54.3 -33.9 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.2 mt-10 -64.9 -27.64 68.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.21 -25.23 18.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -57.74 -44.0 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.66 -35.33 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -61.48 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.562 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 2.3 mt -47.21 -31.9 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.87 -46.54 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -68.88 -44.54 73.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.415 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 29.5 mtm -60.25 -41.1 92.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -76.24 -35.62 58.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.9 mt -74.74 -3.51 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.7 mm-40 -110.87 -51.83 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.48 -24.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 60' ' ' GLU . 12.5 mtt180 -61.78 -52.45 64.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.27 -32.14 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -50.01 142.18 13.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 164.57 33.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.4 7.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -100.64 -16.76 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLY . 6.7 t -114.08 -38.03 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -39.37 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -36.93 145.91 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.29 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.533 ' CD1' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -42.88 -43.18 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -64.83 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -43.89 -36.3 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.471 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 10.5 mtt-85 -73.99 -52.45 12.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -39.73 -44.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -45.3 85.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -58.64 -60.97 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.471 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.3 m-85 -42.28 -63.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -56.48 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -46.39 -56.66 5.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.37 -59.21 5.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -67.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.6 -41.65 18.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -43.31 94.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 25' ' ' ILE . 1.4 mt -53.32 -34.53 57.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.79 -15.63 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -98.93 -62.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -26.2 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -68.8 -44.97 72.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 1.3 pttt -78.47 -26.13 46.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -81.21 4.17 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.77 -37.78 4.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -76.6 -12.2 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 23.6 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.512 0.196 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -39.97 -54.61 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -62.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -47.55 -64.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.566 ' CE2' HD22 ' A' ' 54' ' ' LEU . 44.6 t80 -47.52 -55.19 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -48.97 27.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.75 -39.67 80.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.38 -69.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.473 HG23 ' CE1' ' A' ' 14' ' ' PHE . 77.2 p -38.57 -50.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.75 -63.52 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.69 -35.26 30.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.463 ' CG2' HG11 ' A' ' 43' ' ' VAL . 38.9 mt -71.57 -66.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -37.98 -42.96 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -61.98 -52.01 65.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 11.0 mttm -60.69 -36.28 78.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.489 ' CD1' HD22 ' A' ' 86' ' ' LEU . 79.7 mt -63.97 -32.52 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.46 -16.18 56.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -93.22 -17.43 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.52 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.99 -51.65 69.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 0.52 8.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -124.33 19.16 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.15 156.35 54.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.06 170.13 21.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -97.77 -38.06 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -99.09 -30.24 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 43.7 tttm -58.05 -59.54 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.56 -55.62 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 1.9 mp0 -65.48 -44.98 85.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -55.59 -49.67 72.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.441 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 53.7 t -60.56 -15.74 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 -35.21 10.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' GLN . 18.7 t30 -62.71 -39.57 94.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 47' ' ' LEU . 41.9 t -67.89 -33.6 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mt-10 -59.84 -32.54 70.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -58.07 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -52.64 -28.69 22.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 43' ' ' VAL . 17.4 mt -71.12 -62.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.54 -33.69 64.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.25 -24.85 67.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.26 -28.4 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -55.81 -47.84 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -58.62 -39.08 79.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -61.25 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.566 HD22 ' CE2' ' A' ' 14' ' ' PHE . 1.9 mt -44.51 -36.43 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -61.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 37.0 mm-40 -55.22 -47.48 75.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 mtm -56.48 -47.73 78.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 80' ' ' LYS . 38.5 t0 -69.54 -46.49 66.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 59' ' ' LEU . 11.0 mp -66.51 -10.04 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.3 mm-40 -102.19 -45.47 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.734 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -51.17 -22.54 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -66.74 -38.68 87.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -21.2 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.446 HD11 ' CD2' ' A' ' 72' ' ' TYR . 4.0 mt -69.31 140.63 90.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.02 161.91 37.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.29 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 t -81.74 -19.45 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 14.2 mtp180 -61.61 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.21 -102.95 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -60.34 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.734 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.13 -37.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -67.57 -60.72 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -58.72 -48.8 79.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -50.5 -47.29 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -44.91 68.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -22.23 64.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -86.94 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 19.0 m-85 -38.73 -58.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' A' ' 58' ' ' ASP . 7.1 mttt -50.69 -57.57 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.27 -57.81 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.57 -56.18 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.91 -71.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.82 -36.57 2.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -67.41 -45.79 75.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -50.31 -34.88 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.77 -26.68 67.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' LYS . 1.3 m -87.37 -62.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.456 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -36.89 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.446 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 2.1 t80 -60.32 -46.39 90.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' CG ' HD11 ' A' ' 95' ' ' ILE . 1.2 tttt -67.8 -40.43 83.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -67.26 -37.87 84.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -58.72 -43.93 90.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -76.89 -13.52 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.416 HD11 ' CG ' ' A' ' 91' ' ' LYS . 20.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 15.3 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.524 0.202 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 2.3 mp0 -38.27 -49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -44.63 -65.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.01 -58.0 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' A' ' 54' ' ' LEU . 58.5 t80 -45.53 -63.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -50.37 8.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -44.8 86.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 12.9 mt -56.55 -73.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.6 p -37.94 -42.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.14 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.11 -29.44 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.2 mt -74.94 -62.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.05 -43.0 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 m -65.2 -60.27 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -51.52 -32.61 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 86' ' ' LEU . 61.8 mt -66.78 -31.46 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -8.14 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -99.76 -18.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -54.51 -51.58 77.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.99 0.71 8.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -120.13 2.64 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' ARG . 30.3 mt -103.89 159.21 30.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.68 6.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 -49.4 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -85.47 -31.45 22.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 8.9 tttm -55.57 -58.89 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.42 -53.13 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ASN . 77.2 mm-40 -68.5 -47.16 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.4 tpp -52.98 -57.25 10.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.8 t -49.9 -23.18 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.28 -34.26 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.3 t30 -59.17 -43.61 92.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.4 t -65.4 -34.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 1.2 mt-10 -61.54 -20.53 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -88.06 -62.3 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' HG3' ' CD2' ' A' ' 17' ' ' LEU . 1.6 mp0 -51.21 -29.62 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.4 mt -70.24 -64.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.3 pt-20 -53.67 -33.66 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.54 -30.0 70.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -27.7 27.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.36 -32.17 71.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -58.37 -60.94 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 14' ' ' PHE . 3.6 mt -43.9 -36.84 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 2.4 mt-30 -48.91 -45.26 41.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.464 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 14.3 mtm -53.66 -44.67 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.9 -42.06 28.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.67 -8.88 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.7 mm-40 -101.7 -53.93 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -43.33 -27.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -55.53 -41.95 73.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 60' ' ' GLU . 24.4 mt-10 -65.7 -44.13 87.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.6 mt -41.43 142.19 1.01 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.92 159.14 41.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.26 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.5 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 t -79.26 -27.79 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -49.43 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.8 -96.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.8 OUTLIER -54.95 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.645 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.29 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' MET . 4.2 t -71.71 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.79 -48.73 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 1.9 mmt180 -52.79 -53.0 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -41.85 -52.6 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.57 71.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -62.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 8.0 m-85 -37.6 -62.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -45.79 -57.49 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -49.57 -47.43 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.72 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.6 mmm -44.91 -61.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.72 -34.03 9.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -73.71 -37.26 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 25' ' ' ILE . 1.7 mt -58.27 -23.13 55.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -38.11 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -78.66 -67.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -35.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -62.56 -48.08 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.78 -19.54 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -86.48 1.81 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 p -109.46 -31.14 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.414 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 20.7 ptt180 -78.63 -18.9 53.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 2.3 pt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.491 0.186 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.04 -54.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -44.64 -61.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CD1' HG22 ' A' ' 18' ' ' THR . 48.7 t80 -46.97 -50.87 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -54.83 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.64 -52.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.532 ' CD2' ' NE2' ' A' ' 46' ' ' GLN . 12.8 mt -50.63 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 14' ' ' PHE . 20.3 p -40.4 -62.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.53 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.09 -48.84 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CD1' ' CB ' ' A' ' 46' ' ' GLN . 99.0 mt -62.2 -58.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -37.65 -45.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.2 m -65.47 -56.46 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.37 -33.06 41.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 86' ' ' LEU . 26.4 mt -65.7 -33.71 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.49 -15.67 58.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 mtt85 -93.03 -28.42 16.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -42.84 -50.94 12.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -23.36 13.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' ARG . 85.9 mtt180 -101.86 26.69 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.3 mt -123.9 159.19 57.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.1 Cg_endo -75.01 167.39 27.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.818 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -44.14 6.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.1 -29.98 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 30.1 tttt -56.25 -60.1 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.69 -53.26 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 42' ' ' ASN . 32.2 mm-40 -67.15 -44.15 80.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -57.24 -48.69 78.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 49.1 t -59.69 -16.3 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.39 -37.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLN . 17.9 t30 -60.74 -38.38 84.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.456 HG13 ' CG2' ' A' ' 21' ' ' ILE . 40.8 t -68.98 -34.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.3 mt-10 -58.61 -31.6 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.532 ' NE2' ' CD2' ' A' ' 17' ' ' LEU . 8.0 mm-40 -53.89 -32.14 52.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 6.7 pt-20 -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.6 mm-40 -66.47 -26.54 67.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.37 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.68 -45.92 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 15.7 pt-20 -62.89 -35.64 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -54.01 -59.25 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.7 mt -48.72 -34.03 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -54.73 21.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.91 -43.39 96.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.47 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 20.2 mtm -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.36 -8.13 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.0 mm-40 -106.48 -54.46 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -46.66 -26.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -58.95 -54.41 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -39.44 93.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 4.8 mt -44.28 141.7 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.03 164.86 32.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 2.24 6.81 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.767 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -101.47 -16.43 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 70' ' ' GLY . 35.9 t -115.98 -34.34 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' GLY . 4.5 ttt180 -39.64 -28.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -35.16 151.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 2.1 mmt 64.14 -66.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.627 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.74 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -62.3 -51.8 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.33 -41.4 79.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 75.7 mtt-85 -71.2 -40.31 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.44 ' HE3' ' CB ' ' A' ' 57' ' ' MET . 0.6 OUTLIER -47.85 -44.34 29.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -72.62 -59.17 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -42.43 -44.51 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 4.3 m-85 -55.67 -62.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -43.05 -48.98 6.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -44.35 -53.76 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -59.16 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -54.16 -37.27 58.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 25' ' ' ILE . 5.7 mt -54.43 -28.77 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.29 -39.51 74.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -74.47 -65.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.22 -48.85 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.27 -43.77 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 16.0 tttt -75.88 -31.05 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -80.9 4.71 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.425 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -111.31 -44.48 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.54 -29.53 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 34.3 pt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' GLU . 9.7 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.521 0.2 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 8.2 mt-10 -38.0 -48.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -48.21 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.93 -56.61 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.564 ' CE1' HD21 ' A' ' 54' ' ' LEU . 69.3 t80 -51.46 -62.54 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.46 -52.16 10.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.24 -45.19 84.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.435 ' CD2' ' CD ' ' A' ' 46' ' ' GLN . 11.8 mt -60.12 -64.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.436 HG21 ' CD2' ' A' ' 14' ' ' PHE . 32.0 p -40.89 -57.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 -66.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -43.38 -52.77 5.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 46' ' ' GLN . 62.4 mt -54.7 -57.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.55 -48.96 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m -58.26 -59.24 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 8.1 mttp -52.35 -37.86 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 86' ' ' LEU . 58.8 mt -62.06 -28.69 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -13.67 44.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -95.28 -17.63 21.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.68 -51.84 72.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -120.59 9.43 10.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 mt -112.68 156.99 41.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 171.99 17.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 2.81 6.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -97.1 -41.69 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -96.78 -26.99 14.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 44.6 tttt -61.1 -50.98 71.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -51.79 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.2 mp0 -70.15 -44.11 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.465 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 32.4 tpp -56.37 -53.04 62.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.07 -19.46 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.24 -39.98 9.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.21 -37.25 69.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG13 ' CG1' ' A' ' 25' ' ' ILE . 44.7 t -71.68 -34.57 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.5 mm-40 -60.36 -30.21 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -59.38 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.468 ' CB ' ' CD1' ' A' ' 21' ' ' ILE . 10.0 mm-40 -52.5 -27.52 16.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.6 -60.19 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -58.39 -25.63 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.14 -30.41 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.27 -24.84 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -57.84 -40.36 79.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.86 -33.35 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -56.01 -58.81 6.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.8 mt -49.36 -33.9 14.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -50.96 46.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.66 -43.09 85.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.443 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 27.1 mtm -60.73 -40.88 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -74.85 -36.37 62.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.12 -6.91 45.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.91 -47.42 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.22 -24.97 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -61.18 -46.23 91.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.22 -34.51 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 3.7 mt -50.42 142.64 14.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 164.35 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -103.5 -24.73 13.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -104.67 -2.21 25.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.12 42.83 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.9 -79.35 0.85 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -64.68 -56.68 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.27 -55.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -48.4 -61.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.88 -47.81 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.1 mtt180 -52.01 -56.47 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mmt -40.4 -56.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -46.82 45.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.42 -66.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 17.4 m-85 -37.45 -60.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -46.93 -53.21 12.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -51.49 -60.84 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -60.05 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.07 -71.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.74 -34.75 3.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.84 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 25' ' ' ILE . 2.6 mt -51.39 -31.49 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -33.25 72.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -83.01 -56.52 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -26.77 27.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.2 t80 -72.49 -45.52 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -38.02 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.484 ' HA ' ' CG1' ' A' ' 95' ' ' ILE . 46.1 mtp180 -74.81 -0.81 19.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.497 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.35 -41.97 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.451 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 8.1 ptt85 -75.96 -22.84 55.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' ' 92' ' ' ARG . 2.0 pp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.475 0.179 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 79' ' ' TYR . 1.5 mp0 -38.82 -52.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.51 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -42.86 -57.68 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.7 t80 -51.94 -58.46 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.69 -51.77 5.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 t -57.12 -46.76 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' CD ' ' A' ' 46' ' ' GLN . 13.3 mt -55.47 -70.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.567 HG21 ' CE1' ' A' ' 14' ' ' PHE . 18.3 p -38.74 -57.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.91 -68.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.93 -50.22 10.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.491 ' CD1' ' CB ' ' A' ' 46' ' ' GLN . 48.1 mt -56.12 -66.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -39.0 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 22' ' ' THR . 18.3 m -66.6 -53.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.446 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 10.2 mttt -57.78 -38.11 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.463 ' CD1' HG22 ' A' ' 21' ' ' ILE . 70.3 mt -61.79 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.07 -15.57 46.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.79 -19.65 20.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.74 -51.31 77.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.94 0.66 8.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -122.79 6.4 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.16 156.76 37.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.55 7.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.95 -45.98 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.62 -32.7 16.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 32.6 tttt -56.01 -58.25 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.48 -53.8 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 42' ' ' ASN . 41.4 mm-40 -67.5 -45.78 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 34.4 tpp -54.42 -54.82 35.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.0 t -51.29 -22.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.29 -36.46 12.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' GLN . 11.8 t-20 -60.34 -40.04 89.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.07 -36.56 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.3 mt-10 -56.51 -34.17 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.84 -57.36 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.491 ' CB ' ' CD1' ' A' ' 21' ' ' ILE . 12.4 mm-40 -53.39 -29.02 32.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.18 -58.4 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.19 -35.82 78.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.77 -29.57 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.26 -26.96 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.31 -39.35 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.46 -31.6 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.236 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -60.0 -61.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 2.7 mt -45.54 -35.51 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -69.11 -62.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.2 -44.44 67.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.462 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 25.7 mtm -56.21 -48.11 77.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 -42.99 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -63.56 -12.28 31.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -102.09 -42.24 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.742 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -48.92 -23.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -50.16 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.9 -39.63 94.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.416 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -49.35 141.5 11.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.97 166.65 28.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.87 7.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.32 -20.23 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -119.32 17.05 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLY . 6.7 ttt180 -100.45 -35.89 9.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -35.01 -48.19 0.74 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -65.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.742 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -44.19 -55.68 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.43 -53.68 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -55.67 -37.99 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.4 mtt-85 -65.7 -45.67 81.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.496 ' O ' ' CE ' ' A' ' 80' ' ' LYS . 65.1 mmm -62.6 -32.54 73.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -81.34 -23.48 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -50.86 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' OH ' ' CG ' ' A' ' 11' ' ' GLU . 10.4 m-85 -46.06 -54.49 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -47.3 -48.55 25.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -49.06 -55.15 12.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.91 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -63.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.53 -42.61 44.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -43.0 96.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CD2' HD11 ' A' ' 25' ' ' ILE . 4.4 mt -52.13 -31.99 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -35.81 71.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -77.19 -63.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 -44.43 5.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.72 -43.5 76.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 13.9 tttp -75.74 -32.08 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mtp180 -82.67 3.69 27.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.44 -40.97 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -77.53 0.2 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 31.5 pt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.2 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.535 0.207 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -38.65 -53.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -44.0 -54.79 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -55.96 28.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 90.2 t80 -49.39 -55.92 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -60.28 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -50.33 -34.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 14.6 mt -69.79 -50.44 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -64.15 -11.38 29.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.62 -53.25 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.32 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG2' HD11 ' A' ' 25' ' ' ILE . 82.7 mt -53.22 -56.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -44.58 -54.72 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' CG2' ' A' ' 22' ' ' THR . 45.6 m -52.8 -58.46 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 6.1 mttp -54.05 -36.68 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.46 HD11 ' CG2' ' A' ' 21' ' ' ILE . 69.4 mt -64.32 -32.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.41 -10.61 58.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -98.38 -21.82 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.14 -49.78 82.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 1.28 7.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -127.62 21.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.439 ' CD1' ' HE1' ' A' ' 39' ' ' MET . 32.9 mt -122.09 158.95 53.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 169.79 21.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.92 -39.44 8.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -95.66 -28.42 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -60.49 -57.86 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -56.9 1.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -62.85 -49.0 76.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.485 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 39.1 tpp -52.44 -51.36 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.7 t -55.08 -21.17 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.73 -40.6 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.24 -43.61 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.56 -38.81 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mm-40 -58.71 -19.18 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -63.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG3' ' CD2' ' A' ' 17' ' ' LEU . 1.7 mp0 -50.23 -33.28 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.35 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.8 pt-20 -51.62 -31.79 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.5 mt-10 -66.88 -31.31 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.3 -27.24 29.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.39 -38.77 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -63.5 -50.56 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -53.4 -35.14 60.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.22 -61.2 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 3.1 mm-40 -62.18 -39.17 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 mtm -59.71 -50.36 74.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.91 -19.73 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.62 5.4 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.5 mm-40 -116.58 -42.24 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.714 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 2.0 t -47.02 -26.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -61.86 -36.33 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' GLU . 5.2 mm-40 -75.16 -41.11 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.8 mt -40.16 142.77 0.68 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.2 8.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.66 -30.1 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -94.96 -30.35 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -62.45 -175.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.15 -78.65 0.26 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -49.62 73.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.714 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -39.71 -42.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 t -66.87 -55.29 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -51.76 -23.25 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -90.32 -40.09 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -35.48 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -49.44 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -45.29 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.431 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -44.45 -59.2 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -42.25 -46.17 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mmm -49.35 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.98 -33.7 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -72.37 -41.07 66.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.86 -25.11 18.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -40.26 69.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -72.86 -67.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.41 -39.48 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -59.36 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -70.97 -26.51 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' HA ' HG12 ' A' ' 95' ' ' ILE . 11.3 mtp180 -84.52 -1.49 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.448 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.67 -34.27 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.466 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -76.59 -24.14 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.414 HG12 ' HA ' ' A' ' 92' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.524 0.202 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.83 -51.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.36 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -42.49 -62.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE2' HD22 ' A' ' 54' ' ' LEU . 49.3 t80 -50.26 -56.54 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -54.13 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.31 -52.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.19 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.474 HG22 ' CZ ' ' A' ' 14' ' ' PHE . 81.0 p -38.95 -37.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -67.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -49.44 -34.79 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 46' ' ' GLN . 93.7 mt -65.86 -64.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -39.67 -49.46 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' CG2' ' A' ' 22' ' ' THR . 20.2 m -55.06 -58.96 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' VAL . 26.1 mttt -52.51 -44.29 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CD1' HD23 ' A' ' 86' ' ' LEU . 66.8 mt -54.29 -23.0 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.4 -24.05 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.94 -7.0 44.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -66.02 -50.24 52.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -31.02 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ARG . 20.0 mt -67.79 160.28 74.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.52 16.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.25 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 83.3 m-20 -101.27 -40.8 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.54 -24.54 17.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.5 tttm -63.06 -57.31 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.4 -58.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.4 mp0 -61.71 -47.93 83.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.4 tpp -54.09 -47.53 71.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 43.9 t -60.49 -17.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.84 -38.23 9.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.77 -34.07 73.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.3 t -73.71 -33.71 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -57.77 -35.84 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.32 -57.02 4.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HB3' ' CG1' ' A' ' 21' ' ' ILE . 1.4 mp0 -52.82 -30.28 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.2 mt -75.1 -57.38 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -60.85 -27.14 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.4 -29.05 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -87.03 -31.1 20.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -53.05 -45.66 68.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 8.9 pt-20 -63.01 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -52.71 -58.21 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -48.58 -34.68 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -61.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLU . 23.6 mm-40 -55.87 -48.31 75.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.441 ' CB ' ' HE3' ' A' ' 76' ' ' MET . 37.0 mtm -54.11 -50.92 65.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.69 -55.75 23.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 59' ' ' LEU . 8.1 mp -61.8 -13.78 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 tt0 -92.56 -59.48 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.639 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -40.75 -29.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' GLU . 1.8 mtp180 -55.16 -47.51 75.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -63.69 -41.16 98.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 6.1 mt -46.31 141.74 4.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.07 167.17 27.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -102.1 -4.52 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ARG . 47.2 t -128.98 -42.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' SER . 3.9 mtp180 -38.02 -36.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -38.57 137.04 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER 81.26 -53.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.639 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -53.96 -60.8 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.8 t -44.7 -56.66 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -50.03 -42.42 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.09 -41.64 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.441 ' HE3' ' CB ' ' A' ' 57' ' ' MET . 71.9 mmm -58.76 -33.69 70.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -77.6 -22.29 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.16 -53.69 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 6.1 m-85 -41.58 -61.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -40.37 -51.85 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -45.83 -58.89 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.7 OUTLIER -65.71 -59.77 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -62.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.62 -34.77 36.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.5 tttt -71.14 -37.39 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 25' ' ' ILE . 2.8 mt -58.66 -24.73 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -33.21 64.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.407 ' C ' ' N ' ' A' ' 90' ' ' PHE . 1.2 m -82.87 -63.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.35 -27.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' THR . 1.8 t80 -74.7 -45.34 44.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.484 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -72.28 -30.06 64.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -83.6 -1.95 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.6 p -105.14 -39.97 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -72.02 -18.92 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 25.1 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.1 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.458 0.17 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.23 -40.32 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -57.94 -60.7 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -52.7 55.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 54' ' ' LEU . 78.4 t80 -55.54 -55.66 29.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.17 -52.69 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.14 -46.74 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.56 -66.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.537 HG22 ' CE2' ' A' ' 14' ' ' PHE . 16.8 p -41.06 -64.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.9 10.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -55.96 25.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 74.6 mt -53.24 -61.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -38.57 -45.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ALA . 42.5 m -58.56 -62.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' CG ' ' HE1' ' A' ' 39' ' ' MET . 0.0 OUTLIER -51.34 -29.52 15.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.429 ' CD1' HD23 ' A' ' 86' ' ' LEU . 75.6 mt -73.55 -30.25 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -88.0 -5.55 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' LEU . 26.2 mtt180 -106.82 -13.4 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -56.43 -51.82 78.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.06 1.6 7.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -115.8 -9.87 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 43.0 mt -97.9 159.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 173.86 13.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.67 6.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.793 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.55 -43.79 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.5 -35.79 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 5.6 tttm -51.45 -58.66 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.6 tttp -40.0 -57.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -54.83 -50.1 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.538 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 2.5 ttm -57.7 -40.09 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 74.7 t -68.69 -8.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -104.68 -41.99 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -58.73 -38.05 77.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.467 ' CG1' ' CD1' ' A' ' 47' ' ' LEU . 25.8 t -67.92 -39.76 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -52.43 -31.11 32.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -66.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 21' ' ' ILE . 1.7 mp0 -40.08 -32.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 33.6 mt -72.34 -59.11 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.57 -24.93 58.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -72.48 -56.44 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -34.06 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -43.48 -40.6 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 4.6 pt-20 -66.91 -42.07 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -48.78 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.7 mt -45.1 -35.19 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -51.11 -43.51 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.472 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 26.2 mtm -58.96 -41.99 88.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' N ' ' HE1' ' A' ' 76' ' ' MET . 55.5 t0 -75.44 -43.64 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 59' ' ' LEU . 10.8 mp -65.91 -11.28 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.4 mm-40 -102.39 -46.75 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.704 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.46 -25.78 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.22 -46.5 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -66.28 -42.24 88.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.647 ' CD1' ' CD2' ' A' ' 72' ' ' TYR . 5.0 mt -42.48 142.57 1.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.03 164.99 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.95 8.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -101.45 -29.98 11.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -94.62 -33.88 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 10.6 mtp180 -58.24 -27.88 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.6 -39.52 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -56.89 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.704 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -46.82 -39.33 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 75' ' ' ARG . 13.6 t -68.58 -61.45 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -42.12 -28.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 12.9 mtt180 -82.4 -47.23 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.421 ' HE1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -51.35 -31.87 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.49 -38.62 87.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -55.15 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 16.6 m-30 -39.48 -62.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.87 -50.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -58.78 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -60.56 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -64.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.77 -34.34 36.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.437 1.086 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -68.72 -43.51 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.369 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -51.34 -30.89 20.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -28.28 65.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -84.84 -67.82 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.16 -40.87 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.7 t80 -56.62 -42.95 79.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.3 -31.3 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.452 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 18.1 mtp180 -77.67 -0.12 25.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 p -108.2 -43.98 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -71.52 -8.48 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 40.5 pt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.519 0.199 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.9 mp0 -38.2 -53.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -45.16 -62.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -55.1 25.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CE2' HD22 ' A' ' 54' ' ' LEU . 45.7 t80 -50.34 -65.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.92 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.09 -43.26 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' PHE . 10.6 mt -57.39 -65.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' ALA . 25.4 p -41.47 -67.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . . . -39.99 -59.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.37 -51.25 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' THR . 34.4 mt -54.41 -63.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -38.7 -48.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.39 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ALA . 47.6 m -53.16 -66.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' CG ' ' HE1' ' A' ' 39' ' ' MET . 0.0 OUTLIER -46.99 -37.73 9.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.478 ' CD1' HD23 ' A' ' 86' ' ' LEU . 80.2 mt -66.51 -37.73 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.53 -12.33 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -97.96 -18.98 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.94 -50.8 76.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 2.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -128.67 21.24 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 38.7 mt -126.13 159.44 62.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.74 -50.17 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.43 -32.85 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -53.71 -59.2 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.59 -56.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -57.47 -51.38 69.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.563 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 2.6 ttm -55.77 -40.98 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 78.8 t -70.05 -7.29 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.14 -47.45 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -53.68 -40.08 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.78 -40.39 87.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -55.89 -26.86 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -57.65 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -52.37 -28.3 18.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 mt -70.51 -63.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.0 pt-20 -53.05 -32.11 45.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.76 -29.52 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.61 -27.36 23.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -57.93 -37.97 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -31.51 69.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -57.82 -55.61 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.58 HD22 ' CE2' ' A' ' 14' ' ' PHE . 3.1 mt -52.13 -33.61 40.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -54.64 24.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -63.28 -48.61 77.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.402 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 19.8 mtm -54.29 -45.12 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -71.58 -36.91 71.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -7.54 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -107.95 -43.0 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.648 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.52 -22.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -61.23 -44.95 96.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.83 -30.23 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.491 ' CD1' ' CD2' ' A' ' 72' ' ' TYR . 7.3 mt -54.29 142.4 49.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.06 162.99 36.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.27 -23.66 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 t -105.64 -44.46 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' CD ' HG11 ' A' ' 61' ' ' VAL . 6.9 mtp180 -44.14 -32.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.96 0.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -60.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.648 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -46.22 -47.8 17.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 t -52.3 -56.89 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.31 -38.46 19.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.569 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.26 -48.18 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -42.95 -58.32 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -51.48 42.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -63.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 8.2 m-85 -38.17 -64.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.25 -56.34 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -48.8 -58.31 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.88 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 mmm -44.51 -60.69 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.63 -35.03 15.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -41.38 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -53.1 -28.73 26.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -24.97 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -91.1 -62.52 1.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -47.67 -34.13 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 2.0 t80 -62.69 -42.77 99.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -77.69 -27.82 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.452 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 9.6 mtp180 -80.87 1.04 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.47 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 1.5 p -106.66 -46.15 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -67.94 -24.3 65.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 47.4 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 9.5 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.479 0.18 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -42.42 -52.05 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.64 -65.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.85 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 54' ' ' LEU . 91.3 t80 -40.5 -62.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.58 -55.37 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -53.68 -38.17 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.43 -66.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.4 p -38.93 -45.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.53 -61.67 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -28.38 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.2 mt -78.85 -65.17 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.75 -46.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.1 m -61.46 -55.49 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 17.2 mttm -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' HD23 ' A' ' 86' ' ' LEU . 65.9 mt -58.29 -32.6 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.15 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.0 mtm180 -88.48 -32.49 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.492 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -37.89 -53.25 2.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -29.59 8.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 32.0 mtt180 -95.04 31.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 47.4 mt -129.86 159.68 68.72 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.97 168.6 24.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.72 7.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.69 -33.03 9.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.58 -21.5 14.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 18.7 tttm -64.33 -57.27 9.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -57.51 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ASN . 25.1 mm-40 -59.28 -43.74 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 24' ' ' LYS . 30.0 tpp -61.14 -39.62 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.6 t -76.12 -1.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.42 -36.27 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' GLN . 9.9 t-20 -66.39 -44.24 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -61.43 -36.96 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -54.34 -19.22 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -58.89 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.71 -31.12 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.82 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.98 -28.66 24.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.49 -28.76 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.22 -27.64 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.06 -46.35 88.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.98 -36.38 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -54.1 -58.4 7.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 14' ' ' PHE . 4.5 mt -50.95 -31.05 16.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.7 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.36 -51.14 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.467 ' CB ' ' HE3' ' A' ' 76' ' ' MET . 32.5 mtm -55.05 -39.1 68.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.36 -49.43 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -8.87 46.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.18 -47.47 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.67 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.67 -23.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.14 -52.15 66.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 64' ' ' ILE . 5.0 pt-20 -62.34 -40.67 97.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.505 ' CD1' ' CD2' ' A' ' 72' ' ' TYR . 5.0 mt -42.42 142.57 1.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 163.04 36.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.05 -17.84 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -112.21 -24.99 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLY . 5.7 mtp180 -67.37 -28.82 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -37.4 -44.55 1.21 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.67 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -40.16 -50.81 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' ARG . 36.5 p -50.63 -69.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -41.67 -29.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -78.86 -51.25 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.467 ' HE3' ' CB ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -41.83 -46.01 3.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.98 -47.12 87.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -58.97 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 11' ' ' GLU . 15.3 m-85 -47.82 -61.41 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -55.18 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -50.95 -55.27 18.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.98 -54.64 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.71 -68.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.84 -39.05 4.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 88' ' ' THR . 11.6 ttmt -67.1 -46.09 75.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -49.32 -30.16 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -36.08 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' LYS . 1.3 m -81.63 -60.46 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.364 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -33.28 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.79 -46.74 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -20.8 59.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -88.85 -0.27 57.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.8 p -107.22 -37.93 6.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.446 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 25.4 ptt180 -76.76 -2.38 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.2 pt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.482 0.182 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.94 -53.15 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -44.04 -68.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -65.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' HD22 ' A' ' 54' ' ' LEU . 54.2 t80 -44.34 -49.73 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.73 -57.04 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.85 -42.41 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 10.8 mt -62.41 -72.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.506 HG23 ' CE2' ' A' ' 14' ' ' PHE . 41.7 p -38.56 -38.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.36 -68.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -45.02 -28.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.47 ' CD1' ' CB ' ' A' ' 46' ' ' GLN . 54.3 mt -78.86 -56.43 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -44.77 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -65.34 -55.43 18.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -52.62 -38.38 60.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 21' ' ' ILE . 52.3 mt -62.65 -33.33 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.8 -8.94 59.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.9 mtt180 -101.71 -21.12 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.86 -51.04 77.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -123.05 9.1 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.0 mt -109.61 153.72 42.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.37 -39.0 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -99.11 -29.17 13.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.9 tttt -59.53 -57.69 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.48 -54.84 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -67.33 -48.65 66.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -51.79 -55.24 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 47.8 t -49.99 -25.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.78 -41.04 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -56.46 -33.54 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.429 ' CG1' ' CD1' ' A' ' 47' ' ' LEU . 17.8 t -75.66 -42.63 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.8 mt-10 -48.82 -32.53 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -69.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.47 ' CB ' ' CD1' ' A' ' 21' ' ' ILE . 19.9 mm-40 -38.68 -33.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 44.2 mt -70.62 -62.38 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 5.4 pt-20 -53.82 -23.95 13.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.32 -55.96 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -60.12 -63.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -44.85 -39.46 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -62.7 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 14' ' ' PHE . 3.4 mt -42.32 -36.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -55.9 18.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.62 -43.01 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 54' ' ' LEU . 32.7 mtm -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' OD2' ' NZ ' ' A' ' 80' ' ' LYS . 9.8 t0 -77.61 -34.72 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.59 -3.83 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.35 -50.02 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.636 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 1.3 t -52.33 -23.37 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -49.34 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.54 -28.29 66.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.445 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 3.6 mt -57.27 142.06 76.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.97 162.81 36.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.12 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -35.48 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' ARG . 46.3 t -89.71 -45.6 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -37.23 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 40.78 -94.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -57.43 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.771 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.636 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.42 -47.89 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -55.3 -49.77 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' ARG . 2.6 m-20 -69.67 -58.61 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -44.29 -27.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -40.48 70.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -63.89 -28.59 69.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -80.95 -54.4 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.058 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 75' ' ' ARG . 20.9 m-85 -47.81 -65.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' NZ ' ' OD2' ' A' ' 58' ' ' ASP . 9.7 mttt -45.99 -49.19 16.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -53.14 -62.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -53.2 51.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.87 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.45 -39.77 3.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -67.38 -45.27 76.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' MET . 1.6 mt -50.78 -30.57 14.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -37.02 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.6 m -80.75 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -42.1 -33.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -64.52 -47.97 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.92 -31.6 63.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -78.23 2.62 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -30.61 8.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -88.37 -13.24 41.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 1.6 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.536 0.207 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.49 -50.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -43.68 -65.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -48.92 -62.83 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.565 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 60.9 t80 -45.2 -58.7 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -51.78 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.0 t -56.98 -43.53 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 7.7 mt -58.58 -66.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.439 ' CG2' ' CE1' ' A' ' 14' ' ' PHE . 41.1 p -41.96 -58.35 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.89 -60.58 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.47 -49.35 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.473 HG23 ' CD1' ' A' ' 25' ' ' ILE . 85.1 mt -59.14 -63.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -37.63 -42.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.2 m -62.63 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -49.9 -31.17 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 21' ' ' ILE . 66.1 mt -70.99 -34.76 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -84.63 -1.83 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -111.65 -16.41 13.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.508 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.47 -51.82 72.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.0 1.23 7.97 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.42 22.95 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.539 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 48.0 mt -127.72 160.28 61.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -100.89 -47.96 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -82.86 -34.65 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 3.1 tttm -51.95 -57.95 7.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.68 -62.28 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -49.79 -55.64 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.539 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 3.9 ttm -54.41 -38.32 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.3 t -72.52 -4.99 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.0 -48.58 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -53.32 -38.73 63.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' CG1' ' CD1' ' A' ' 47' ' ' LEU . 35.0 t -66.76 -44.65 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -48.5 -28.32 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -68.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 15.1 mm-40 -38.91 -35.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 44.4 mt -69.37 -60.35 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 4.9 pt-20 -55.5 -23.56 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.68 -57.0 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 14' ' ' PHE . . . -58.2 -27.43 63.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -56.97 -40.34 76.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.43 -30.65 69.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -61.63 -59.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.557 HD22 ' CE2' ' A' ' 14' ' ' PHE . 5.0 mt -45.11 -35.92 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.0 -61.46 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 64.7 mm-40 -58.96 -41.96 88.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.404 ' HE1' ' CD2' ' A' ' 54' ' ' LEU . 17.3 mtm -58.09 -47.89 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.06 -43.34 62.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 55' ' ' GLU . 9.3 mp -64.56 -12.15 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.9 mm-40 -101.38 -58.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.12 -27.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -35.83 79.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 4.4 mt -59.57 141.5 88.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.92 32.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -108.43 -11.62 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 -2.43 9.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.57 45.34 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -87.65 123.49 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER 78.98 -54.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.85 -31.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' MET . 8.1 t -75.68 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -51.53 -37.31 48.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.552 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -61.89 -53.09 60.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -54.77 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -52.72 -20.32 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.7 -60.59 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 12.0 m-85 -39.3 -56.41 1.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -53.93 -51.52 63.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -48.81 -57.66 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -58.4 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.43 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.74 -46.96 4.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' THR . 4.0 mttt -61.86 -48.15 81.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 25' ' ' ILE . 1.4 mt -47.51 -33.75 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.9 -38.02 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.4 m -73.43 -67.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -40.78 -45.2 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.458 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -55.38 -44.5 76.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -81.54 -17.73 47.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' THR . 5.2 mtt180 -94.72 0.01 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ASP . 15.4 p -103.93 -35.61 8.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -71.7 -15.84 62.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' GLU . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.419 0.152 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 6.5 mt-10 -38.79 -52.11 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -47.65 -67.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -62.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' HD23 ' A' ' 54' ' ' LEU . 38.5 t80 -49.83 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.81 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.68 -36.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.8 mt -71.66 -64.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.525 HG21 ' CZ ' ' A' ' 14' ' ' PHE . 28.2 p -38.43 -47.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.44 -52.09 64.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.42 -36.82 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 mt -71.13 -60.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -40.7 -42.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 m -60.09 -58.28 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -54.14 -37.1 64.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.456 ' CD1' HD23 ' A' ' 86' ' ' LEU . 57.1 mt -60.93 -23.58 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.45 -20.2 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -97.23 -8.55 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -65.73 -50.13 56.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.11 8.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.21 -31.81 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 17.5 mt -67.21 158.66 80.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.95 174.14 13.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 3.21 5.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -96.61 -48.2 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 71.2 tttt -54.75 -58.58 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.75 -55.18 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -66.48 -47.14 74.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.6 tpp -53.43 -53.51 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 37.7 t -53.49 -21.68 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.36 -40.86 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -55.43 -35.98 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.498 ' CG1' ' CD1' ' A' ' 47' ' ' LEU . 5.7 t -72.72 -38.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 1.7 mt-10 -54.12 -29.01 43.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -68.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 62.8 mm-40 -42.81 -32.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.498 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 27.6 mt -70.53 -52.26 23.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.2 -27.28 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.01 -57.02 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -59.55 -38.18 80.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -41.33 -40.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLU . 1.9 tt0 -65.88 -46.13 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -45.53 -57.27 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 14' ' ' PHE . 3.4 mt -51.66 -33.1 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -69.31 -51.15 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -66.09 -45.67 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.42 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 30.7 mtm -58.61 -38.38 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.24 -35.32 48.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -4.06 33.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.49 -44.1 3.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.571 HG23 ' CE2' ' A' ' 72' ' ' TYR . 1.4 t -56.3 -18.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -51.54 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.76 -36.67 84.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.487 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -47.04 142.82 4.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 164.93 32.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.442 1.759 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.37 7.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -95.87 -40.55 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.13 -43.18 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.78 -30.36 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.34 -35.69 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.571 ' CE2' HG23 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -42.38 -46.78 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.3 m -52.08 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.1 t-20 -39.9 -44.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 4.8 mmt180 -69.56 -56.06 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.85 -54.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -48.73 41.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 22.9 m-85 -41.58 -64.19 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -43.83 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -59.31 -58.03 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.93 -56.71 17.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -64.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.3 -38.47 19.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -43.37 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 25' ' ' ILE . 3.8 mt -51.79 -27.39 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -42.35 59.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -75.37 -60.85 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.28 -32.06 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 1.7 t80 -70.14 -46.61 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 1.3 pttp -68.55 -24.53 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -3.36 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 p -102.33 -39.83 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -71.22 -12.79 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 17.5 pt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ASP . 18.0 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.442 0.163 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' CD ' ' CZ ' ' A' ' 72' ' ' TYR . 1.5 mp0 -37.85 -53.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -43.76 -44.87 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -74.36 -39.72 62.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.564 ' CD1' ' HE1' ' A' ' 57' ' ' MET . 53.0 t80 -59.17 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -51.44 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.11 -33.65 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.25 -67.97 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -41.81 -54.1 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.71 -42.8 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 91.9 mt -61.47 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.76 -44.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.0 m -59.89 -57.69 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -53.46 -40.1 65.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CD1' HD23 ' A' ' 86' ' ' LEU . 65.6 mt -60.21 -33.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.63 -13.0 58.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -98.64 -20.59 16.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.02 -51.91 66.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 1.48 7.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -123.48 8.65 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.6 mt -108.54 160.21 28.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.04 168.74 24.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -35.64 9.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -99.46 -26.35 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 35.2 tttt -62.25 -57.9 9.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.6 -57.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' ASN . 82.0 mm-40 -61.36 -45.91 92.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.7 tpp -56.47 -46.6 80.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.8 t -62.69 -13.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -101.79 -35.67 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.4 t-20 -63.93 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' CD1' ' A' ' 47' ' ' LEU . 15.1 t -66.38 -36.43 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.1 mt-10 -54.45 -39.61 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -55.79 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HB3' ' CD1' ' A' ' 21' ' ' ILE . 1.9 mp0 -54.8 -26.62 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.5 mt -73.43 -60.63 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.1 -27.33 61.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.48 -34.9 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' CE ' ' A' ' 83' ' ' MET . . . -77.9 -29.63 50.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -58.02 -55.76 30.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.62 -28.82 66.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' SD ' ' A' ' 57' ' ' MET . 2.2 mt -57.87 -64.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.501 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 88.9 mt -43.01 -37.71 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.29 -43.33 67.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.3 mm-40 -77.71 -55.42 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.564 ' HE1' ' CD1' ' A' ' 14' ' ' PHE . 3.0 mpp? -49.36 -35.38 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' N ' ' HE2' ' A' ' 76' ' ' MET . 5.6 t0 -81.72 -36.23 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 55' ' ' GLU . 4.3 mt -75.59 -2.14 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -111.4 -57.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.6 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.58 -26.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -47.39 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -17.11 61.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.2 mt -67.64 142.45 96.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.98 165.21 31.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 1.04 8.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.38 -21.26 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' GLY . 40.2 t -108.98 -39.45 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' SER . 3.5 ttt180 -37.31 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -37.7 134.18 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 80.61 -52.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -56.78 -45.41 82.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -58.05 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.63 -38.21 9.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 2.4 mmt180 -69.28 -59.98 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.427 ' HE2' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -39.55 -34.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -61.62 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 0.0 110.359 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.43 -47.14 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 13.9 m-30 -45.26 -69.63 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -39.51 -50.1 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -58.66 -47.5 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.426 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -65.39 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.489 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.55 -61.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.86 -48.24 45.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.39 -41.35 98.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 25' ' ' ILE . 2.2 mt -52.01 -31.8 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -38.79 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -79.9 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -46.63 -38.58 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -58.07 -46.14 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -31.28 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.406 ' HA ' HG12 ' A' ' 95' ' ' ILE . 3.5 mtt180 -78.67 3.35 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.6 p -110.26 -36.18 5.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -75.33 -20.81 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.406 HG12 ' HA ' ' A' ' 92' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 6.4 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.532 0.206 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' TYR . 4.8 mp0 -38.96 -49.95 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.97 -64.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.43 -54.2 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HD22 ' A' ' 54' ' ' LEU . 70.6 t80 -52.16 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.89 -37.66 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -72.27 -44.61 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' THR . 12.0 mt -47.73 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 17' ' ' LEU . 32.1 p -35.37 -68.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . . . -40.2 -50.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.83 -52.84 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.502 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 33.2 mt -57.24 -65.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -35.86 -42.35 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.401 ' N ' HG21 ' A' ' 22' ' ' THR . 27.1 m -61.65 -62.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 12.2 mttt -51.6 -27.88 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 89' ' ' ASP . 50.3 mt -70.28 -31.32 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.47 -21.13 53.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.98 -17.13 26.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.03 -51.4 68.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 -14.64 20.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.463 1.77 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -102.89 6.97 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ARG . 26.8 mt -107.18 159.98 28.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.06 170.67 19.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.34 7.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -43.41 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.78 -29.95 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 6.9 tttm -59.73 -56.06 26.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -50.21 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -70.69 -43.81 68.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.406 ' SD ' ' HB3' ' A' ' 24' ' ' LYS . 31.0 tpp -56.54 -53.99 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.9 t -53.52 -21.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 -35.92 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.23 -42.72 86.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.03 -36.19 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -59.44 -27.92 66.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -81.09 -58.65 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.49 -30.01 38.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.07 -62.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 8.3 pt-20 -54.8 -32.06 59.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.8 mm-40 -66.14 -28.54 68.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.9 -29.99 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -39.11 64.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.94 -37.21 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -51.83 -65.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.567 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 2.5 mt -42.64 -35.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -70.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.5 mm-40 -48.98 -42.51 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.428 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 12.7 mtm -58.05 -47.65 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' N ' ' HE3' ' A' ' 76' ' ' MET . 14.8 t0 -71.73 -47.61 52.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.89 -14.15 31.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.6 mm-40 -97.61 -52.9 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -44.64 -28.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -34.09 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -21.87 42.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 4.7 mt -69.89 142.54 90.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 166.39 29.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -102.83 -19.0 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -116.51 10.83 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -30.1 12.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.07 -40.7 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -59.76 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -48.27 -55.22 11.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -54.58 14.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -49.54 -45.18 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -68.24 -47.31 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.423 ' HE3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -42.64 -53.45 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -32.73 72.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -67.36 -55.05 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 20.6 m-85 -49.53 -49.45 45.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.422 ' CG ' HD13 ' A' ' 54' ' ' LEU . 34.1 mttt -55.86 -39.02 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -65.86 -42.13 90.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.78 -51.13 44.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 4.7 mmm -58.03 -65.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.32 -30.29 2.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -43.68 76.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -51.13 -35.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.9 -19.22 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -94.87 -59.0 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 2.8 m-20 -54.4 -24.62 20.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 8.8 t80 -78.5 -37.64 42.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.484 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 2.1 tttp -85.19 -13.5 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -99.07 3.39 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.415 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -116.06 -38.4 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -76.53 0.16 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 13.0 pt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' GLU . 35.7 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.473 0.178 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.6 mp0 -38.75 -50.37 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -50.55 -56.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.52 -59.46 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 54' ' ' LEU . 90.4 t80 -51.54 -53.22 40.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.88 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.64 -52.39 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 12.5 mt -50.83 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' CE2' ' A' ' 14' ' ' PHE . 24.4 p -42.77 -59.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.69 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -46.58 -51.05 16.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 58.7 mt -57.36 -60.86 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.49 -45.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ALA . 20.7 m -59.71 -62.07 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -50.16 -34.66 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.357 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.478 ' CD1' HD23 ' A' ' 86' ' ' LEU . 69.6 mt -63.39 -31.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -81.45 -17.95 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -92.97 -18.29 22.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.3 -52.2 68.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -121.91 14.8 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.96 156.76 47.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.77 15.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.62 8.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -98.4 -36.76 9.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.85 -28.56 13.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 16.4 tttm -57.77 -57.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -59.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.58 -42.4 83.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 35.2 tpp -62.16 -38.55 89.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 73.5 t -73.95 -4.26 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.08 -37.35 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.25 -34.33 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 34.7 mm-40 -55.71 -33.27 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.71 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.496 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 15.4 mm-40 -50.32 -31.64 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' CD1' ' CD2' ' A' ' 90' ' ' PHE . 18.8 mt -71.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 51' ' ' ARG . 8.4 pt-20 -56.03 -36.25 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.42 -25.0 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.58 -32.68 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 48' ' ' GLU . 1.6 mtt180 -48.6 -41.13 29.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 9.4 pt-20 -65.36 -41.62 93.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -50.8 -54.84 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 14' ' ' PHE . 2.6 mt -54.31 -31.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -53.95 12.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 41.3 mm-40 -64.24 -43.29 95.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.9 mtm -60.89 -40.49 93.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' N ' ' HE1' ' A' ' 76' ' ' MET . 10.1 t70 -79.06 -42.77 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.0 mt -65.69 -10.33 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 mm-40 -100.64 -51.58 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.586 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -49.61 -23.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 60' ' ' GLU . 16.5 mtm180 -61.6 -52.6 63.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -63.24 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.456 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 2.7 mt -55.86 142.07 64.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.456 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 165.13 31.97 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.525 1.802 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 -17.1 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.32 -11.7 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 4.0 ttp180 -70.8 -19.83 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -38.92 144.46 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.1 -60.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.83 -41.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -68.39 -50.96 49.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.07 -24.78 64.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.9 mtm180 -84.07 -33.15 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.425 ' HE1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -64.08 -54.92 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -50.49 -30.4 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLN . 10.1 t -76.98 -63.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 21.2 m-85 -38.5 -37.5 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -48.48 41.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -50.55 -33.96 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -82.44 -53.97 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -63.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.84 64.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.64 -41.75 95.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -54.13 -38.38 65.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -23.89 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -87.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.82 -36.45 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 2.8 t80 -64.53 -44.85 89.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.469 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 6.3 mtp180 -72.5 -32.07 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.229 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -65.24 -42.8 92.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -76.05 -13.23 60.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 92' ' ' ARG . 15.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.482 0.182 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.75 -57.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -39.76 -54.03 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.16 -58.7 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 54' ' ' LEU . 59.7 t80 -49.56 -57.6 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.28 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.0 t -54.59 -47.57 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 14.7 mt -53.29 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.444 HG23 ' CE1' ' A' ' 14' ' ' PHE . 35.4 p -39.15 -70.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.0 -53.41 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.57 -51.24 67.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 46' ' ' GLN . 54.2 mt -57.73 -63.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -37.62 -41.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.0 m -62.17 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' CG ' ' HE2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -47.19 -33.19 5.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.469 ' CD1' HD23 ' A' ' 86' ' ' LEU . 79.1 mt -67.5 -39.41 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -76.93 -10.61 59.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.23 -20.36 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -50.74 -50.49 73.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 2.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -129.87 34.96 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.527 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 52.2 mt -139.09 156.18 72.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 174.06 13.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 2.35 6.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 30.0 m-20 -100.55 -45.99 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.45 -35.81 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 22.6 tttt -52.44 -55.7 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.7 tptt -40.25 -60.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 5.3 mp0 -52.9 -53.11 53.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.527 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 1.9 ttm -54.8 -39.41 68.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 24.0 t -72.39 -5.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.75 -47.76 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -55.03 -39.29 68.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 47' ' ' LEU . 35.5 t -65.83 -42.56 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -51.68 -28.39 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -85.6 -67.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HB3' ' CG1' ' A' ' 21' ' ' ILE . 1.4 mp0 -38.81 -38.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD12 ' CG1' ' A' ' 43' ' ' VAL . 48.2 mt -67.78 -57.03 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.22 -21.53 59.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 57.1 mm-40 -78.92 -57.41 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 -16.73 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.29 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 pt-20 -50.98 -30.01 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -61.38 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -45.59 -35.56 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -64.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -55.43 -44.36 76.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.474 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 22.0 mtm -57.31 -43.32 83.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.33 -46.28 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.98 -14.84 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -98.87 -49.15 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.659 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.93 -22.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -64.87 -53.0 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.53 -38.71 81.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.46 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -41.41 142.34 0.99 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 161.74 38.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.53 8.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -95.0 -30.59 14.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' GLY . 21.7 t -97.39 -36.84 10.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 5.1 mtp180 -57.4 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -129.57 -69.24 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' TYR . 10.6 mmt -72.53 -52.41 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.2 -48.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -54.44 -62.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.49 -47.57 57.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 13.1 mtm-85 -59.26 -50.07 75.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -48.81 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -58.76 -24.12 61.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -86.95 -62.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 10.6 m-85 -37.34 -58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -47.99 -59.32 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -43.17 -63.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.95 -59.21 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -67.0 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.31 -35.43 43.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -41.08 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 1.3 mt -55.09 -35.71 64.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.08 -19.57 66.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -93.2 -69.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.92 -31.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -63.21 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 4.2 ptmt -68.92 -38.74 79.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 19.5 mtp85 -66.13 -47.65 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.44 ' OG ' ' CG2' ' A' ' 25' ' ' ILE . 2.5 m -44.44 -41.97 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.465 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 5.8 mtm105 -73.33 -35.37 66.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 92' ' ' ARG . 73.3 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 12.0 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.507 0.194 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 1.1 mp0 -40.22 -48.68 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -47.28 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -46.76 -59.21 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CZ ' HG22 ' A' ' 18' ' ' THR . 37.4 t80 -49.55 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.55 -41.38 14.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -67.85 -35.64 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.3 mt -72.0 -62.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.503 HG22 ' CZ ' ' A' ' 14' ' ' PHE . 70.7 p -40.48 -48.34 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -65.49 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.85 -27.86 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' THR . 62.4 mt -80.21 -63.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -38.17 -45.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.415 ' N ' HG21 ' A' ' 22' ' ' THR . 20.0 m -56.56 -57.73 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -54.81 -39.31 68.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.478 ' CD1' HD21 ' A' ' 86' ' ' LEU . 64.2 mt -60.22 -26.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.31 -15.88 32.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.53 -19.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.34 -50.93 80.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.22 7.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -121.98 3.24 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.5 mt -103.28 161.02 24.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 169.71 22.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.13 6.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 64.6 m-20 -97.56 -44.41 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.45 -32.76 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.8 tttt -53.41 -61.15 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -38.84 -56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 3.6 mp0 -63.38 -46.28 87.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -56.29 -45.72 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.3 t -64.68 -12.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.54 -37.56 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -62.07 -38.48 88.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.38 -34.35 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mt-10 -58.71 -44.22 90.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.41 -52.98 21.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.456 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 51.0 mm-40 -59.15 -26.86 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.99 -57.23 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.2 pt-20 -60.07 -32.76 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 2.1 mm-40 -63.43 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -22.62 29.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -51.81 67.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.63 -37.52 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.79 -58.82 4.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.477 HD21 ' CE ' ' A' ' 57' ' ' MET . 3.8 mt -51.97 -32.09 31.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -46.99 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -69.89 -50.42 42.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.477 ' CE ' HD21 ' A' ' 54' ' ' LEU . 35.2 mtm -52.66 -42.09 64.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.11 -36.3 66.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -7.53 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 62' ' ' ARG . 2.1 mm-40 -107.08 -50.64 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.37 -25.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -62.07 -39.32 92.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.68 -39.34 77.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -45.07 142.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 159.62 41.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 59.79 5.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -167.58 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -81.17 -23.12 38.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -54.86 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 41.35 -98.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' ASN . 20.9 mmt -52.17 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.69 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.26 -52.2 66.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 71' ' ' MET . 14.3 t30 -72.18 -63.25 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 5.5 mtp85 -39.19 -34.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -60.98 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.47 -30.26 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -75.68 -54.53 6.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 8.8 m-85 -47.55 -32.18 5.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -77.01 -32.23 56.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -59.15 -36.15 74.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 16.1 tp10 -84.48 -51.49 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.409 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.87 -60.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.09 -43.0 62.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -41.7 96.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -52.28 -32.68 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.88 68.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -82.9 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.83 -32.84 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.415 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 5.0 t80 -69.0 -46.47 67.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -86.41 4.22 40.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.2 p -111.8 -32.74 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -85.65 3.3 41.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 28.6 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.5 0.191 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -41.38 -55.95 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -42.99 -64.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -56.73 5.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 87.4 t80 -52.06 -61.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.29 -38.82 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -69.85 -37.96 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' PHE . 7.5 mt -63.35 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.481 ' HB ' ' CG ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -42.55 -26.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 17' ' ' LEU . . . -86.47 -58.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.12 -24.14 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.499 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 31.8 mt -81.12 -67.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -35.97 -44.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -57.99 -56.83 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -58.06 -28.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.469 HG21 ' CB ' ' A' ' 93' ' ' SER . 53.5 mt -71.16 -31.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -18.77 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 11.9 mtt180 -92.36 -17.05 25.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.94 -52.1 68.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.95 0.76 8.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -122.73 7.98 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.83 155.06 41.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 170.99 19.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.39 6.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.541 1.811 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.19 -42.17 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -94.53 -32.53 13.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.1 tttm -56.03 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -40.31 -52.89 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -68.39 -44.44 75.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 31.2 tpp -55.5 -56.02 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -51.68 -22.07 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.43 -34.88 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.18 -41.24 88.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.9 t -67.87 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.04 -31.01 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -58.34 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.86 -28.29 49.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.33 -61.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.9 pt-20 -55.87 -32.04 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.9 mm-40 -65.23 -30.61 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.8 -26.28 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -55.45 -41.97 73.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.47 -37.4 85.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -62.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.57 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 1.3 mt -47.8 -33.75 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.45 -53.0 18.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -63.34 -47.74 80.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.3 mtm -54.99 -44.23 74.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' HE2' ' A' ' 76' ' ' MET . 9.2 t70 -73.28 -34.12 65.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -7.19 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.8 mm-40 -106.57 -51.13 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.715 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.06 -25.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.89 -34.43 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.86 -23.77 38.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.522 HD11 ' CE2' ' A' ' 72' ' ' TYR . 5.3 mt -62.59 142.54 96.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 164.64 32.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.62 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.75 -14.0 18.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -123.13 6.73 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.63 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.48 -63.62 1.69 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -76.96 -59.7 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.715 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -35.2 -35.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.064 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -69.91 -63.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.91 -39.82 78.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.27 -47.25 86.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.424 ' HE2' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -51.64 -34.63 38.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -13.81 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.28 -54.36 3.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.8 m-85 -44.19 -46.05 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.76 -39.5 88.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -65.77 -49.62 67.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.481 ' CG ' ' HB ' ' A' ' 18' ' ' THR . 3.5 tp10 -57.95 -50.77 72.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 1.2 mmm -60.93 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 -33.07 1.76 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.86 -43.83 82.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.499 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -51.5 -36.32 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.95 -24.93 66.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -89.35 -62.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -31.95 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 4.8 t80 -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.514 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 16.4 tttt -81.61 -32.2 32.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -81.13 5.56 16.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.469 ' CB ' HG21 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -111.54 -44.36 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -73.28 -3.45 27.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 31.9 pt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.45 89.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.01 151.08 21.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 109.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.89 165.02 26.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -162.62 127.53 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.59 94.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.04 117.34 1.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -97.46 161.82 13.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.71 144.43 5.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -126.17 -63.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -40.73 -56.77 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.9 -65.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.82 -67.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 59.9 t80 -41.51 -57.54 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.69 -52.53 8.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.7 -45.96 82.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.16 -68.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.52 HG23 ' CE1' ' A' ' 14' ' ' PHE . 25.6 p -38.87 -48.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.58 -66.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -34.99 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 94.5 mt -70.74 -63.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -39.55 -49.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -56.29 -55.02 38.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -56.14 -35.59 67.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' CD1' HD21 ' A' ' 86' ' ' LEU . 63.8 mt -63.73 -34.7 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.44 59.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -20.35 18.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.79 -50.82 75.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 1.31 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -125.21 17.07 8.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.19 157.17 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.02 169.33 22.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.76 -32.04 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.05 -22.18 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 41.2 tttt -67.73 -58.48 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.48 -54.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' ASN . 31.8 mm-40 -66.19 -46.68 76.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 36.0 tpp -54.48 -50.59 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 t -56.27 -20.08 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 -39.04 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.3 t30 -57.92 -33.29 68.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.8 t -75.93 -31.45 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -60.24 2.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.45 ' HB3' ' CD1' ' A' ' 21' ' ' ILE . 2.1 mp0 -51.43 -28.06 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.7 pt-20 -54.3 -33.9 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.2 mt-10 -64.9 -27.64 68.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.21 -25.23 18.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -57.74 -44.0 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.66 -35.33 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -61.48 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.562 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 2.3 mt -47.21 -31.9 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -73.87 -46.54 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -68.88 -44.54 73.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.415 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 29.5 mtm -60.25 -41.1 92.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -76.24 -35.62 58.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.9 mt -74.74 -3.51 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.7 mm-40 -110.87 -51.83 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.48 -24.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 60' ' ' GLU . 12.5 mtt180 -61.78 -52.45 64.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.27 -32.14 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -50.01 142.18 13.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 164.57 33.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.4 7.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -100.64 -16.76 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLY . 6.7 t -114.08 -38.03 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -39.37 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -36.93 145.91 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.29 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.533 ' CD1' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -42.88 -43.18 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -64.83 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -43.89 -36.3 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.471 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 10.5 mtt-85 -73.99 -52.45 12.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -39.73 -44.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -45.3 85.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -58.64 -60.97 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.471 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.3 m-85 -42.28 -63.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -56.48 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -46.39 -56.66 5.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.37 -59.21 5.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -67.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.6 -41.65 18.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -43.31 94.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 25' ' ' ILE . 1.4 mt -53.32 -34.53 57.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.79 -15.63 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -98.93 -62.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -26.2 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -68.8 -44.97 72.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 1.3 pttt -78.47 -26.13 46.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -81.21 4.17 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.77 -37.78 4.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -76.6 -12.2 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 23.6 pt -87.42 6.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -87.31 122.92 31.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.16 58.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.86 -132.79 8.81 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -45.77 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t 47.72 87.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.5 m -84.83 152.31 23.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 p -141.69 168.95 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.5 160.33 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.77 -123.54 3.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -113.92 166.0 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 0.719 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -89.55 -71.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.93 156.41 8.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -101.25 134.92 43.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.99 147.04 4.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -116.97 -52.49 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -39.97 -54.61 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -62.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -47.55 -64.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.566 ' CE2' HD22 ' A' ' 54' ' ' LEU . 44.6 t80 -47.52 -55.19 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -48.97 27.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.75 -39.67 80.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.38 -69.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.473 HG23 ' CE1' ' A' ' 14' ' ' PHE . 77.2 p -38.57 -50.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.75 -63.52 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.69 -35.26 30.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 ' CG2' HG11 ' A' ' 43' ' ' VAL . 38.9 mt -71.57 -66.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -37.98 -42.96 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -61.98 -52.01 65.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 11.0 mttm -60.69 -36.28 78.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.489 ' CD1' HD22 ' A' ' 86' ' ' LEU . 79.7 mt -63.97 -32.52 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.46 -16.18 56.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -93.22 -17.43 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.52 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.99 -51.65 69.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 0.52 8.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -124.33 19.16 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.15 156.35 54.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.06 170.13 21.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -97.77 -38.06 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -99.09 -30.24 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 43.7 tttm -58.05 -59.54 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.56 -55.62 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 1.9 mp0 -65.48 -44.98 85.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -55.59 -49.67 72.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.441 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 53.7 t -60.56 -15.74 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 -35.21 10.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' GLN . 18.7 t30 -62.71 -39.57 94.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 47' ' ' LEU . 41.9 t -67.89 -33.6 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mt-10 -59.84 -32.54 70.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -58.07 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -52.64 -28.69 22.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 43' ' ' VAL . 17.4 mt -71.12 -62.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.54 -33.69 64.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.25 -24.85 67.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.26 -28.4 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -55.81 -47.84 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -58.62 -39.08 79.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -61.25 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.566 HD22 ' CE2' ' A' ' 14' ' ' PHE . 1.9 mt -44.51 -36.43 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -61.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 37.0 mm-40 -55.22 -47.48 75.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 mtm -56.48 -47.73 78.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 80' ' ' LYS . 38.5 t0 -69.54 -46.49 66.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 59' ' ' LEU . 11.0 mp -66.51 -10.04 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.3 mm-40 -102.19 -45.47 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.734 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -51.17 -22.54 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -66.74 -38.68 87.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -21.2 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.446 HD11 ' CD2' ' A' ' 72' ' ' TYR . 4.0 mt -69.31 140.63 90.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.02 161.91 37.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.29 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 t -81.74 -19.45 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 14.2 mtp180 -61.61 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.21 -102.95 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -60.34 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.734 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.13 -37.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -67.57 -60.72 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -58.72 -48.8 79.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -50.5 -47.29 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -44.91 68.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -22.23 64.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -86.94 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 19.0 m-85 -38.73 -58.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' A' ' 58' ' ' ASP . 7.1 mttt -50.69 -57.57 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.27 -57.81 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.57 -56.18 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.91 -71.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.82 -36.57 2.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -67.41 -45.79 75.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -50.31 -34.88 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.77 -26.68 67.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' LYS . 1.3 m -87.37 -62.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.456 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -36.89 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.446 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 2.1 t80 -60.32 -46.39 90.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' CG ' HD11 ' A' ' 95' ' ' ILE . 1.2 tttt -67.8 -40.43 83.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -67.26 -37.87 84.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -58.72 -43.93 90.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -76.89 -13.52 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.416 HD11 ' CG ' ' A' ' 91' ' ' LYS . 20.5 mt -78.13 -47.49 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.7 -62.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.32 91.7 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.84 -176.86 46.19 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.57 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.0 p -75.11 160.03 30.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.8 p -166.41 159.99 15.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -136.89 145.16 44.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -158.66 159.94 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.53 -175.67 14.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.22 154.3 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 110.043 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.36 -60.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.13 82.58 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -105.96 -17.76 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.24 157.53 10.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 15.3 m-85 -135.89 -67.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 2.3 mp0 -38.27 -49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -44.63 -65.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.01 -58.0 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' A' ' 54' ' ' LEU . 58.5 t80 -45.53 -63.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -50.37 8.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -44.8 86.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 12.9 mt -56.55 -73.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.6 p -37.94 -42.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.14 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.11 -29.44 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.2 mt -74.94 -62.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.05 -43.0 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 m -65.2 -60.27 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -51.52 -32.61 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CD1' HD21 ' A' ' 86' ' ' LEU . 61.8 mt -66.78 -31.46 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -8.14 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -99.76 -18.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -54.51 -51.58 77.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.99 0.71 8.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -120.13 2.64 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' ARG . 30.3 mt -103.89 159.21 30.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.68 6.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 -49.4 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -85.47 -31.45 22.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 8.9 tttm -55.57 -58.89 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.42 -53.13 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ASN . 77.2 mm-40 -68.5 -47.16 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.4 tpp -52.98 -57.25 10.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.8 t -49.9 -23.18 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.28 -34.26 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.3 t30 -59.17 -43.61 92.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.4 t -65.4 -34.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 1.2 mt-10 -61.54 -20.53 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -88.06 -62.3 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' HG3' ' CD2' ' A' ' 17' ' ' LEU . 1.6 mp0 -51.21 -29.62 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.4 mt -70.24 -64.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.3 pt-20 -53.67 -33.66 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.54 -30.0 70.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -27.7 27.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.36 -32.17 71.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -58.37 -60.94 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 14' ' ' PHE . 3.6 mt -43.9 -36.84 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 2.4 mt-30 -48.91 -45.26 41.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.464 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 14.3 mtm -53.66 -44.67 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.9 -42.06 28.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.67 -8.88 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.7 mm-40 -101.7 -53.93 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -43.33 -27.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -55.53 -41.95 73.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 60' ' ' GLU . 24.4 mt-10 -65.7 -44.13 87.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.6 mt -41.43 142.19 1.01 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.92 159.14 41.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.26 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.5 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 t -79.26 -27.79 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -49.43 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.8 -96.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.8 OUTLIER -54.95 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.645 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.29 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' MET . 4.2 t -71.71 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.79 -48.73 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 1.9 mmt180 -52.79 -53.0 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -41.85 -52.6 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.57 71.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -62.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 8.0 m-85 -37.6 -62.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -45.79 -57.49 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -49.57 -47.43 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.72 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.6 mmm -44.91 -61.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.72 -34.03 9.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -73.71 -37.26 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 25' ' ' ILE . 1.7 mt -58.27 -23.13 55.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -38.11 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -78.66 -67.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -35.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -62.56 -48.08 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.78 -19.54 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -86.48 1.81 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 p -109.46 -31.14 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.414 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 20.7 ptt180 -78.63 -18.9 53.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 2.3 pt -79.33 -15.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -74.55 131.63 41.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 p -174.5 -50.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.27 -147.22 4.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 102.15 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.7 t -104.14 155.02 19.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 m -67.83 132.33 47.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m 42.46 90.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.5 84.52 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.45 65.95 2.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.31 126.95 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -102.64 111.11 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.87 -92.73 0.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.52 159.05 30.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.57 117.19 3.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -117.27 -61.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.04 -54.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -44.64 -61.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CD1' HG22 ' A' ' 18' ' ' THR . 48.7 t80 -46.97 -50.87 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -54.83 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.64 -52.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.532 ' CD2' ' NE2' ' A' ' 46' ' ' GLN . 12.8 mt -50.63 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.572 HG22 ' CD1' ' A' ' 14' ' ' PHE . 20.3 p -40.4 -62.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.53 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.09 -48.84 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CD1' ' CB ' ' A' ' 46' ' ' GLN . 99.0 mt -62.2 -58.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -37.65 -45.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.2 m -65.47 -56.46 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.37 -33.06 41.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 86' ' ' LEU . 26.4 mt -65.7 -33.71 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.49 -15.67 58.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 mtt85 -93.03 -28.42 16.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -42.84 -50.94 12.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -23.36 13.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' ARG . 85.9 mtt180 -101.86 26.69 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.3 mt -123.9 159.19 57.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.1 Cg_endo -75.01 167.39 27.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.818 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -44.14 6.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.1 -29.98 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 30.1 tttt -56.25 -60.1 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.69 -53.26 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 42' ' ' ASN . 32.2 mm-40 -67.15 -44.15 80.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -57.24 -48.69 78.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 49.1 t -59.69 -16.3 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.39 -37.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLN . 17.9 t30 -60.74 -38.38 84.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.456 HG13 ' CG2' ' A' ' 21' ' ' ILE . 40.8 t -68.98 -34.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.3 mt-10 -58.61 -31.6 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.532 ' NE2' ' CD2' ' A' ' 17' ' ' LEU . 8.0 mm-40 -53.89 -32.14 52.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 6.7 pt-20 -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.6 mm-40 -66.47 -26.54 67.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.37 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.68 -45.92 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 15.7 pt-20 -62.89 -35.64 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -54.01 -59.25 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.7 mt -48.72 -34.03 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -54.73 21.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.91 -43.39 96.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.47 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 20.2 mtm -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.36 -8.13 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.0 mm-40 -106.48 -54.46 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -46.66 -26.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -58.95 -54.41 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -39.44 93.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 4.8 mt -44.28 141.7 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.03 164.86 32.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 2.24 6.81 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.767 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -101.47 -16.43 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 70' ' ' GLY . 35.9 t -115.98 -34.34 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' GLY . 4.5 ttt180 -39.64 -28.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -35.16 151.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 2.1 mmt 64.14 -66.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.627 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.74 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -62.3 -51.8 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.33 -41.4 79.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 75.7 mtt-85 -71.2 -40.31 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.44 ' HE3' ' CB ' ' A' ' 57' ' ' MET . 0.6 OUTLIER -47.85 -44.34 29.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -72.62 -59.17 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -42.43 -44.51 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 4.3 m-85 -55.67 -62.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -43.05 -48.98 6.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -44.35 -53.76 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -59.16 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -54.16 -37.27 58.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 25' ' ' ILE . 5.7 mt -54.43 -28.77 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.29 -39.51 74.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -74.47 -65.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.22 -48.85 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.27 -43.77 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 16.0 tttt -75.88 -31.05 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -80.9 4.71 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.425 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -111.31 -44.48 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.54 -29.53 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 34.3 pt -61.55 -14.97 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -66.38 133.95 51.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.0 p 178.55 78.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.97 144.47 21.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.157 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.7 t -73.74 158.56 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.62 87.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.0 141.65 30.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.792 . . . . 0.0 109.957 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -106.29 120.58 42.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.08 124.97 23.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.94 155.88 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -143.04 159.85 41.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.24 152.44 16.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.44 60.9 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.69 137.91 2.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' GLU . 9.7 m-85 -111.96 -66.54 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 8.2 mt-10 -38.0 -48.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -48.21 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.93 -56.61 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.564 ' CE1' HD21 ' A' ' 54' ' ' LEU . 69.3 t80 -51.46 -62.54 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.46 -52.16 10.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.24 -45.19 84.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' CD2' ' CD ' ' A' ' 46' ' ' GLN . 11.8 mt -60.12 -64.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.436 HG21 ' CD2' ' A' ' 14' ' ' PHE . 32.0 p -40.89 -57.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 -66.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -43.38 -52.77 5.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 46' ' ' GLN . 62.4 mt -54.7 -57.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.55 -48.96 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 m -58.26 -59.24 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 8.1 mttp -52.35 -37.86 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 86' ' ' LEU . 58.8 mt -62.06 -28.69 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -13.67 44.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -95.28 -17.63 21.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.68 -51.84 72.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -120.59 9.43 10.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 mt -112.68 156.99 41.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 171.99 17.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 2.81 6.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -97.1 -41.69 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -96.78 -26.99 14.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 44.6 tttt -61.1 -50.98 71.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -51.79 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.2 mp0 -70.15 -44.11 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.465 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 32.4 tpp -56.37 -53.04 62.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.07 -19.46 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.24 -39.98 9.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.21 -37.25 69.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG13 ' CG1' ' A' ' 25' ' ' ILE . 44.7 t -71.68 -34.57 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.5 mm-40 -60.36 -30.21 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -59.38 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.468 ' CB ' ' CD1' ' A' ' 21' ' ' ILE . 10.0 mm-40 -52.5 -27.52 16.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.6 -60.19 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -58.39 -25.63 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.14 -30.41 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.27 -24.84 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -57.84 -40.36 79.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.86 -33.35 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -56.01 -58.81 6.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.8 mt -49.36 -33.9 14.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -50.96 46.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.66 -43.09 85.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.443 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 27.1 mtm -60.73 -40.88 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -74.85 -36.37 62.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.12 -6.91 45.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.91 -47.42 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.22 -24.97 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -61.18 -46.23 91.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.22 -34.51 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 3.7 mt -50.42 142.64 14.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 164.35 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -103.5 -24.73 13.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -104.67 -2.21 25.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.12 42.83 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.9 -79.35 0.85 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -64.68 -56.68 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.27 -55.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -48.4 -61.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.88 -47.81 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.1 mtt180 -52.01 -56.47 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mmt -40.4 -56.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -46.82 45.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.42 -66.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 17.4 m-85 -37.45 -60.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -46.93 -53.21 12.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -51.49 -60.84 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -60.05 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.07 -71.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.74 -34.75 3.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.84 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 25' ' ' ILE . 2.6 mt -51.39 -31.49 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -33.25 72.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -83.01 -56.52 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -26.77 27.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.2 t80 -72.49 -45.52 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -38.02 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.484 ' HA ' ' CG1' ' A' ' 95' ' ' ILE . 46.1 mtp180 -74.81 -0.81 19.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.497 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.35 -41.97 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.451 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 8.1 ptt85 -75.96 -22.84 55.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.484 ' CG1' ' HA ' ' A' ' 92' ' ' ARG . 2.0 pp -86.03 -44.65 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . 44.88 -169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.72 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ALA . . . 167.39 147.33 5.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -55.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.54 1.81 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.4 m -39.35 114.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m 70.2 -66.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.973 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -178.41 133.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m 66.44 169.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.76 -152.04 6.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -119.02 112.27 19.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -83.62 151.75 25.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.62 106.88 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -92.98 162.56 14.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.345 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.08 160.81 11.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -136.84 -63.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 79' ' ' TYR . 1.5 mp0 -38.82 -52.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.51 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -42.86 -57.68 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.7 t80 -51.94 -58.46 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.69 -51.77 5.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 t -57.12 -46.76 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' CD ' ' A' ' 46' ' ' GLN . 13.3 mt -55.47 -70.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.567 HG21 ' CE1' ' A' ' 14' ' ' PHE . 18.3 p -38.74 -57.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.91 -68.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.93 -50.22 10.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.491 ' CD1' ' CB ' ' A' ' 46' ' ' GLN . 48.1 mt -56.12 -66.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -39.0 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 22' ' ' THR . 18.3 m -66.6 -53.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 10.2 mttt -57.78 -38.11 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.463 ' CD1' HG22 ' A' ' 21' ' ' ILE . 70.3 mt -61.79 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.07 -15.57 46.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.79 -19.65 20.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.74 -51.31 77.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.94 0.66 8.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -122.79 6.4 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.16 156.76 37.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.55 7.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.95 -45.98 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.62 -32.7 16.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 32.6 tttt -56.01 -58.25 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.48 -53.8 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 42' ' ' ASN . 41.4 mm-40 -67.5 -45.78 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 34.4 tpp -54.42 -54.82 35.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.0 t -51.29 -22.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.29 -36.46 12.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' GLN . 11.8 t-20 -60.34 -40.04 89.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.07 -36.56 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.3 mt-10 -56.51 -34.17 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.84 -57.36 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.491 ' CB ' ' CD1' ' A' ' 21' ' ' ILE . 12.4 mm-40 -53.39 -29.02 32.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.2 mt -73.18 -58.4 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.19 -35.82 78.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.77 -29.57 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.26 -26.96 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.31 -39.35 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.46 -31.6 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.236 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -60.0 -61.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 14' ' ' PHE . 2.7 mt -45.54 -35.51 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -69.11 -62.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.2 -44.44 67.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.462 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 25.7 mtm -56.21 -48.11 77.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 -42.99 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -63.56 -12.28 31.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -102.09 -42.24 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.742 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -48.92 -23.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -50.16 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.9 -39.63 94.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.416 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -49.35 141.5 11.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.97 166.65 28.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.87 7.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.32 -20.23 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -119.32 17.05 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLY . 6.7 ttt180 -100.45 -35.89 9.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -35.01 -48.19 0.74 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -65.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.742 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -44.19 -55.68 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.43 -53.68 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -55.67 -37.99 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.4 mtt-85 -65.7 -45.67 81.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.496 ' O ' ' CE ' ' A' ' 80' ' ' LYS . 65.1 mmm -62.6 -32.54 73.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -81.34 -23.48 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -50.86 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' OH ' ' CG ' ' A' ' 11' ' ' GLU . 10.4 m-85 -46.06 -54.49 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -47.3 -48.55 25.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -49.06 -55.15 12.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.91 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -63.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.53 -42.61 44.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -43.0 96.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' CD2' HD11 ' A' ' 25' ' ' ILE . 4.4 mt -52.13 -31.99 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -35.81 71.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -77.19 -63.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 -44.43 5.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.72 -43.5 76.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 13.9 tttp -75.74 -32.08 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mtp180 -82.67 3.69 27.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.44 -40.97 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -77.53 0.2 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 31.5 pt -96.22 -2.76 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -83.41 119.26 24.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.64 -51.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.3 -147.17 4.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.45 43.15 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.479 1.778 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 90.9 p -144.11 99.59 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.52 149.25 21.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -163.93 87.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.41 159.71 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.44 130.65 2.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -124.53 125.69 44.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -155.92 147.05 22.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.74 158.61 27.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.33 53.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.32 132.22 2.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.2 m-85 -110.73 -67.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -38.65 -53.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -44.0 -54.79 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -55.96 28.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 90.2 t80 -49.39 -55.92 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -60.28 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -50.33 -34.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 14.6 mt -69.79 -50.44 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -64.15 -11.38 29.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.62 -53.25 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.32 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG2' HD11 ' A' ' 25' ' ' ILE . 82.7 mt -53.22 -56.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -44.58 -54.72 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' CG2' ' A' ' 22' ' ' THR . 45.6 m -52.8 -58.46 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 6.1 mttp -54.05 -36.68 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.46 HD11 ' CG2' ' A' ' 21' ' ' ILE . 69.4 mt -64.32 -32.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.41 -10.61 58.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -98.38 -21.82 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.14 -49.78 82.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 1.28 7.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -127.62 21.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' CD1' ' HE1' ' A' ' 39' ' ' MET . 32.9 mt -122.09 158.95 53.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 169.79 21.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.92 -39.44 8.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -95.66 -28.42 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -60.49 -57.86 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -56.9 1.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -62.85 -49.0 76.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.485 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 39.1 tpp -52.44 -51.36 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.7 t -55.08 -21.17 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.73 -40.6 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.24 -43.61 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.56 -38.81 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mm-40 -58.71 -19.18 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -63.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG3' ' CD2' ' A' ' 17' ' ' LEU . 1.7 mp0 -50.23 -33.28 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.35 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.8 pt-20 -51.62 -31.79 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.5 mt-10 -66.88 -31.31 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.3 -27.24 29.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.39 -38.77 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -63.5 -50.56 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -53.4 -35.14 60.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.22 -61.2 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 3.1 mm-40 -62.18 -39.17 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 mtm -59.71 -50.36 74.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.91 -19.73 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.62 5.4 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.5 mm-40 -116.58 -42.24 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.714 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 2.0 t -47.02 -26.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -61.86 -36.33 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' GLU . 5.2 mm-40 -75.16 -41.11 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.8 mt -40.16 142.77 0.68 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.2 8.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.66 -30.1 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -94.96 -30.35 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -62.45 -175.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.15 -78.65 0.26 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -49.62 73.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.714 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -39.71 -42.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 t -66.87 -55.29 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -51.76 -23.25 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -90.32 -40.09 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -35.48 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -49.44 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -45.29 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.431 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -44.45 -59.2 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -42.25 -46.17 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mmm -49.35 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.98 -33.7 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -72.37 -41.07 66.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.86 -25.11 18.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -40.26 69.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -72.86 -67.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.41 -39.48 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -59.36 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -70.97 -26.51 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' HA ' HG12 ' A' ' 95' ' ' ILE . 11.3 mtp180 -84.52 -1.49 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.448 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.67 -34.27 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.466 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -76.59 -24.14 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.414 HG12 ' HA ' ' A' ' 92' ' ' ARG . 0.7 OUTLIER -90.05 46.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -122.12 86.2 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.5 t -157.95 111.02 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.976 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.78 118.07 1.79 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.46 2.56 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.2 126.98 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.6 p -84.21 113.44 21.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.163 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t 46.05 93.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 p -132.25 167.4 19.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.13 170.36 43.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.78 160.27 5.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 0.728 . . . . 0.0 110.033 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.42 143.66 49.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.79 -108.76 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.69 142.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 0.762 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.84 137.14 9.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -125.69 -61.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 0.721 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.83 -51.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.36 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -42.49 -62.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE2' HD22 ' A' ' 54' ' ' LEU . 49.3 t80 -50.26 -56.54 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -54.13 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.31 -52.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.19 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.474 HG22 ' CZ ' ' A' ' 14' ' ' PHE . 81.0 p -38.95 -37.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -67.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -49.44 -34.79 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 46' ' ' GLN . 93.7 mt -65.86 -64.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -39.67 -49.46 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' CG2' ' A' ' 22' ' ' THR . 20.2 m -55.06 -58.96 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' VAL . 26.1 mttt -52.51 -44.29 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CD1' HD23 ' A' ' 86' ' ' LEU . 66.8 mt -54.29 -23.0 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.4 -24.05 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.94 -7.0 44.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -66.02 -50.24 52.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -31.02 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ARG . 20.0 mt -67.79 160.28 74.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.52 16.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.25 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 83.3 m-20 -101.27 -40.8 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.54 -24.54 17.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.5 tttm -63.06 -57.31 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.4 -58.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.4 mp0 -61.71 -47.93 83.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.4 tpp -54.09 -47.53 71.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 43.9 t -60.49 -17.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.84 -38.23 9.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.77 -34.07 73.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.3 t -73.71 -33.71 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -57.77 -35.84 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.32 -57.02 4.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' HB3' ' CG1' ' A' ' 21' ' ' ILE . 1.4 mp0 -52.82 -30.28 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.2 mt -75.1 -57.38 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -60.85 -27.14 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.4 -29.05 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -87.03 -31.1 20.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -53.05 -45.66 68.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 8.9 pt-20 -63.01 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -52.71 -58.21 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -48.58 -34.68 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -61.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLU . 23.6 mm-40 -55.87 -48.31 75.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.441 ' CB ' ' HE3' ' A' ' 76' ' ' MET . 37.0 mtm -54.11 -50.92 65.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.69 -55.75 23.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 59' ' ' LEU . 8.1 mp -61.8 -13.78 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 tt0 -92.56 -59.48 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.639 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -40.75 -29.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' GLU . 1.8 mtp180 -55.16 -47.51 75.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -63.69 -41.16 98.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 6.1 mt -46.31 141.74 4.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.07 167.17 27.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -102.1 -4.52 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ARG . 47.2 t -128.98 -42.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' SER . 3.9 mtp180 -38.02 -36.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -38.57 137.04 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER 81.26 -53.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.639 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -53.96 -60.8 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.8 t -44.7 -56.66 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -50.03 -42.42 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.09 -41.64 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.441 ' HE3' ' CB ' ' A' ' 57' ' ' MET . 71.9 mmm -58.76 -33.69 70.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -77.6 -22.29 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.16 -53.69 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 6.1 m-85 -41.58 -61.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -40.37 -51.85 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -45.83 -58.89 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.7 OUTLIER -65.71 -59.77 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -62.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.62 -34.77 36.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.5 tttt -71.14 -37.39 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 25' ' ' ILE . 2.8 mt -58.66 -24.73 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -33.21 64.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.407 ' C ' ' N ' ' A' ' 90' ' ' PHE . 1.2 m -82.87 -63.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.35 -27.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' THR . 1.8 t80 -74.7 -45.34 44.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -72.28 -30.06 64.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -83.6 -1.95 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.6 p -105.14 -39.97 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -72.02 -18.92 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 25.1 pt -84.83 -47.82 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 95' ' ' ILE . . . 38.65 56.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.1 p -137.78 171.24 14.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.51 167.56 42.95 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.35 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 t -70.85 133.63 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.8 t 61.35 113.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -107.57 160.62 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.34 -61.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.88 -142.88 9.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.14 149.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.736 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.73 158.86 43.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.2 -149.65 7.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.1 166.29 24.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.64 142.68 3.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.1 m-85 -103.56 -61.57 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.23 -40.32 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -57.94 -60.7 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -52.7 55.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 54' ' ' LEU . 78.4 t80 -55.54 -55.66 29.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.17 -52.69 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.14 -46.74 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.56 -66.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.537 HG22 ' CE2' ' A' ' 14' ' ' PHE . 16.8 p -41.06 -64.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.9 10.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -55.96 25.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 74.6 mt -53.24 -61.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -38.57 -45.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ALA . 42.5 m -58.56 -62.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' CG ' ' HE1' ' A' ' 39' ' ' MET . 0.0 OUTLIER -51.34 -29.52 15.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.429 ' CD1' HD23 ' A' ' 86' ' ' LEU . 75.6 mt -73.55 -30.25 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -88.0 -5.55 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' LEU . 26.2 mtt180 -106.82 -13.4 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -56.43 -51.82 78.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.06 1.6 7.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -115.8 -9.87 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 43.0 mt -97.9 159.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 173.86 13.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.67 6.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.793 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.55 -43.79 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.5 -35.79 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 5.6 tttm -51.45 -58.66 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.6 tttp -40.0 -57.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -54.83 -50.1 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.538 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 2.5 ttm -57.7 -40.09 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 74.7 t -68.69 -8.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -104.68 -41.99 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -58.73 -38.05 77.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.467 ' CG1' ' CD1' ' A' ' 47' ' ' LEU . 25.8 t -67.92 -39.76 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -52.43 -31.11 32.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -66.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 21' ' ' ILE . 1.7 mp0 -40.08 -32.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 33.6 mt -72.34 -59.11 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.57 -24.93 58.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -72.48 -56.44 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -34.06 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -43.48 -40.6 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 4.6 pt-20 -66.91 -42.07 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -48.78 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.7 mt -45.1 -35.19 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -51.11 -43.51 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.472 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 26.2 mtm -58.96 -41.99 88.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' N ' ' HE1' ' A' ' 76' ' ' MET . 55.5 t0 -75.44 -43.64 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 59' ' ' LEU . 10.8 mp -65.91 -11.28 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.4 mm-40 -102.39 -46.75 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.704 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.46 -25.78 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.22 -46.5 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -66.28 -42.24 88.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.647 ' CD1' ' CD2' ' A' ' 72' ' ' TYR . 5.0 mt -42.48 142.57 1.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.03 164.99 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.95 8.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -101.45 -29.98 11.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -94.62 -33.88 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 10.6 mtp180 -58.24 -27.88 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.6 -39.52 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -56.89 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.704 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -46.82 -39.33 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 75' ' ' ARG . 13.6 t -68.58 -61.45 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -42.12 -28.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 12.9 mtt180 -82.4 -47.23 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.421 ' HE1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -51.35 -31.87 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.49 -38.62 87.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -55.15 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 16.6 m-30 -39.48 -62.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.87 -50.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -58.78 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -60.56 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -64.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.77 -34.34 36.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.437 1.086 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -68.72 -43.51 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.369 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -51.34 -30.89 20.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -28.28 65.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -84.84 -67.82 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.16 -40.87 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.7 t80 -56.62 -42.95 79.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.3 -31.3 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.452 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 18.1 mtp180 -77.67 -0.12 25.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 p -108.2 -43.98 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -71.52 -8.48 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 40.5 pt -88.31 9.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -90.99 86.38 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.17 142.42 24.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.64 -176.28 20.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.3 Cg_endo -75.01 69.59 5.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' PRO . 0.4 OUTLIER 164.51 100.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.5 m -85.7 -56.84 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -145.52 -58.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.88 162.01 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 139.02 2.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 t -141.21 -70.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 110.026 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.08 87.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.89 102.23 0.72 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.97 140.49 29.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.793 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.77 132.9 6.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-85 -114.77 -65.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.9 mp0 -38.2 -53.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -45.16 -62.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -55.1 25.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' CE2' HD22 ' A' ' 54' ' ' LEU . 45.7 t80 -50.34 -65.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.92 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.09 -43.26 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' PHE . 10.6 mt -57.39 -65.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' ALA . 25.4 p -41.47 -67.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . . . -39.99 -59.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.37 -51.25 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' THR . 34.4 mt -54.41 -63.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -38.7 -48.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.39 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ALA . 47.6 m -53.16 -66.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' CG ' ' HE1' ' A' ' 39' ' ' MET . 0.0 OUTLIER -46.99 -37.73 9.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.478 ' CD1' HD23 ' A' ' 86' ' ' LEU . 80.2 mt -66.51 -37.73 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.53 -12.33 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -97.96 -18.98 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.94 -50.8 76.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 2.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -128.67 21.24 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 38.7 mt -126.13 159.44 62.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.74 -50.17 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.43 -32.85 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -53.71 -59.2 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.59 -56.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -57.47 -51.38 69.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.563 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 2.6 ttm -55.77 -40.98 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 78.8 t -70.05 -7.29 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.14 -47.45 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -53.68 -40.08 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.78 -40.39 87.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -55.89 -26.86 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -57.65 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -52.37 -28.3 18.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 mt -70.51 -63.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.0 pt-20 -53.05 -32.11 45.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.76 -29.52 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.61 -27.36 23.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -57.93 -37.97 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -31.51 69.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -57.82 -55.61 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.58 HD22 ' CE2' ' A' ' 14' ' ' PHE . 3.1 mt -52.13 -33.61 40.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -54.64 24.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -63.28 -48.61 77.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.402 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 19.8 mtm -54.29 -45.12 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -71.58 -36.91 71.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -7.54 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -107.95 -43.0 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.648 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.52 -22.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -61.23 -44.95 96.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.83 -30.23 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.491 ' CD1' ' CD2' ' A' ' 72' ' ' TYR . 7.3 mt -54.29 142.4 49.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.06 162.99 36.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.27 -23.66 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 t -105.64 -44.46 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' CD ' HG11 ' A' ' 61' ' ' VAL . 6.9 mtp180 -44.14 -32.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.96 0.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -60.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.648 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -46.22 -47.8 17.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 t -52.3 -56.89 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.31 -38.46 19.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.569 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.26 -48.18 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -42.95 -58.32 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -51.48 42.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -63.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 8.2 m-85 -38.17 -64.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.25 -56.34 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -48.8 -58.31 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.88 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 mmm -44.51 -60.69 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.63 -35.03 15.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -41.38 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -53.1 -28.73 26.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -24.97 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -91.1 -62.52 1.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -47.67 -34.13 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 2.0 t80 -62.69 -42.77 99.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -77.69 -27.82 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.452 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 9.6 mtp180 -80.87 1.04 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.47 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 1.5 p -106.66 -46.15 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -67.94 -24.3 65.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 47.4 pt -72.97 -10.39 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -71.22 139.62 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.88 -44.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.943 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.98 -155.2 8.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -46.3 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 p -104.19 -47.02 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m 51.54 77.39 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.61 -58.26 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 110.0 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -66.47 132.31 47.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.054 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.59 -137.79 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 p -143.93 -61.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.013 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.35 165.04 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.41 -90.89 0.41 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.55 153.88 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.2 -122.17 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 9.5 m-85 -64.43 -62.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -42.42 -52.05 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.64 -65.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.85 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 54' ' ' LEU . 91.3 t80 -40.5 -62.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.58 -55.37 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -53.68 -38.17 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.43 -66.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.4 p -38.93 -45.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.53 -61.67 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -28.38 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.2 mt -78.85 -65.17 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.75 -46.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.1 m -61.46 -55.49 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 17.2 mttm -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' HD23 ' A' ' 86' ' ' LEU . 65.9 mt -58.29 -32.6 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.15 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.0 mtm180 -88.48 -32.49 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.492 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -37.89 -53.25 2.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -29.59 8.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 32.0 mtt180 -95.04 31.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 47.4 mt -129.86 159.68 68.72 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.97 168.6 24.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.72 7.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.69 -33.03 9.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.58 -21.5 14.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 18.7 tttm -64.33 -57.27 9.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -57.51 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ASN . 25.1 mm-40 -59.28 -43.74 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 24' ' ' LYS . 30.0 tpp -61.14 -39.62 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.6 t -76.12 -1.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.42 -36.27 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' GLN . 9.9 t-20 -66.39 -44.24 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -61.43 -36.96 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -54.34 -19.22 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -58.89 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.71 -31.12 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.82 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.98 -28.66 24.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.49 -28.76 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.22 -27.64 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.06 -46.35 88.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.98 -36.38 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -54.1 -58.4 7.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 14' ' ' PHE . 4.5 mt -50.95 -31.05 16.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.7 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.36 -51.14 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.467 ' CB ' ' HE3' ' A' ' 76' ' ' MET . 32.5 mtm -55.05 -39.1 68.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.36 -49.43 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -8.87 46.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.18 -47.47 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.67 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.67 -23.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.14 -52.15 66.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 64' ' ' ILE . 5.0 pt-20 -62.34 -40.67 97.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.505 ' CD1' ' CD2' ' A' ' 72' ' ' TYR . 5.0 mt -42.42 142.57 1.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 163.04 36.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.05 -17.84 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -112.21 -24.99 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLY . 5.7 mtp180 -67.37 -28.82 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -37.4 -44.55 1.21 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.67 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -40.16 -50.81 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' ARG . 36.5 p -50.63 -69.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -41.67 -29.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -78.86 -51.25 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.467 ' HE3' ' CB ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -41.83 -46.01 3.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.98 -47.12 87.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -58.97 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 11' ' ' GLU . 15.3 m-85 -47.82 -61.41 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -55.18 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -50.95 -55.27 18.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.98 -54.64 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.71 -68.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.84 -39.05 4.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 88' ' ' THR . 11.6 ttmt -67.1 -46.09 75.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -49.32 -30.16 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -36.08 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' LYS . 1.3 m -81.63 -60.46 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.364 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -33.28 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -66.79 -46.74 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -20.8 59.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -88.85 -0.27 57.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.8 p -107.22 -37.93 6.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.446 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 25.4 ptt180 -76.76 -2.38 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.2 pt -93.35 24.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.01 78.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.3 p -153.03 153.09 32.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -42.57 110.16 0.24 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.568 1.825 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.8 t -147.74 103.08 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.1 p -152.15 156.34 39.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 p -97.92 86.41 3.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.91 126.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.76 93.56 0.49 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.17 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.963 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.68 153.81 25.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.09 98.24 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -85.86 128.53 34.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.92 140.77 7.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -103.72 -60.55 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.94 -53.15 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -44.04 -68.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -65.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' HD22 ' A' ' 54' ' ' LEU . 54.2 t80 -44.34 -49.73 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.73 -57.04 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.85 -42.41 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 10.8 mt -62.41 -72.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.506 HG23 ' CE2' ' A' ' 14' ' ' PHE . 41.7 p -38.56 -38.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.36 -68.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -45.02 -28.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.47 ' CD1' ' CB ' ' A' ' 46' ' ' GLN . 54.3 mt -78.86 -56.43 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -44.77 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -65.34 -55.43 18.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -52.62 -38.38 60.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 21' ' ' ILE . 52.3 mt -62.65 -33.33 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.8 -8.94 59.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.9 mtt180 -101.71 -21.12 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.86 -51.04 77.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -123.05 9.1 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.0 mt -109.61 153.72 42.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.37 -39.0 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -99.11 -29.17 13.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.9 tttt -59.53 -57.69 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.48 -54.84 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -67.33 -48.65 66.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -51.79 -55.24 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 47.8 t -49.99 -25.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.78 -41.04 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -56.46 -33.54 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.429 ' CG1' ' CD1' ' A' ' 47' ' ' LEU . 17.8 t -75.66 -42.63 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.8 mt-10 -48.82 -32.53 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -69.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.47 ' CB ' ' CD1' ' A' ' 21' ' ' ILE . 19.9 mm-40 -38.68 -33.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 44.2 mt -70.62 -62.38 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 5.4 pt-20 -53.82 -23.95 13.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.32 -55.96 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -60.12 -63.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -44.85 -39.46 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -62.7 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 14' ' ' PHE . 3.4 mt -42.32 -36.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -55.9 18.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.62 -43.01 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.44 ' CE ' HD21 ' A' ' 54' ' ' LEU . 32.7 mtm -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' OD2' ' NZ ' ' A' ' 80' ' ' LYS . 9.8 t0 -77.61 -34.72 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.59 -3.83 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.35 -50.02 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.636 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 1.3 t -52.33 -23.37 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -49.34 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.54 -28.29 66.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.445 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 3.6 mt -57.27 142.06 76.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.97 162.81 36.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.12 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -35.48 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' ARG . 46.3 t -89.71 -45.6 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -37.23 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 40.78 -94.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -57.43 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.771 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.636 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.42 -47.89 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -55.3 -49.77 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' ARG . 2.6 m-20 -69.67 -58.61 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -44.29 -27.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -40.48 70.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -63.89 -28.59 69.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -80.95 -54.4 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.058 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 75' ' ' ARG . 20.9 m-85 -47.81 -65.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' NZ ' ' OD2' ' A' ' 58' ' ' ASP . 9.7 mttt -45.99 -49.19 16.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -53.14 -62.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -53.2 51.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.87 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.45 -39.77 3.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -67.38 -45.27 76.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' MET . 1.6 mt -50.78 -30.57 14.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -37.02 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.6 m -80.75 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -42.1 -33.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -64.52 -47.97 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.92 -31.6 63.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -78.23 2.62 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -30.61 8.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -88.37 -13.24 41.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 1.6 pp -95.2 25.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.53 103.67 13.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.42 121.69 7.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -45.51 155.48 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.34 31.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.1 t -114.81 109.3 17.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.96 145.99 34.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 0.0 111.02 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -144.79 170.26 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.961 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -117.52 169.89 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.74 -139.99 6.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -122.51 162.6 21.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.776 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.85 161.19 30.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.27 166.88 12.71 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -135.7 153.83 51.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.85 148.08 5.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -118.56 -64.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.49 -50.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -43.68 -65.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -48.92 -62.83 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.565 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 60.9 t80 -45.2 -58.7 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -51.78 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.0 t -56.98 -43.53 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 7.7 mt -58.58 -66.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.439 ' CG2' ' CE1' ' A' ' 14' ' ' PHE . 41.1 p -41.96 -58.35 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.89 -60.58 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.47 -49.35 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.473 HG23 ' CD1' ' A' ' 25' ' ' ILE . 85.1 mt -59.14 -63.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -37.63 -42.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.2 m -62.63 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -49.9 -31.17 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 21' ' ' ILE . 66.1 mt -70.99 -34.76 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -84.63 -1.83 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -111.65 -16.41 13.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.508 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.47 -51.82 72.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.0 1.23 7.97 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.42 22.95 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.539 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 48.0 mt -127.72 160.28 61.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -100.89 -47.96 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -82.86 -34.65 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 3.1 tttm -51.95 -57.95 7.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.68 -62.28 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -49.79 -55.64 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.539 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 3.9 ttm -54.41 -38.32 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.3 t -72.52 -4.99 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.0 -48.58 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -53.32 -38.73 63.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' CG1' ' CD1' ' A' ' 47' ' ' LEU . 35.0 t -66.76 -44.65 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -48.5 -28.32 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -68.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 15.1 mm-40 -38.91 -35.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 44.4 mt -69.37 -60.35 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 4.9 pt-20 -55.5 -23.56 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.68 -57.0 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 14' ' ' PHE . . . -58.2 -27.43 63.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -56.97 -40.34 76.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.43 -30.65 69.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -61.63 -59.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.557 HD22 ' CE2' ' A' ' 14' ' ' PHE . 5.0 mt -45.11 -35.92 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.0 -61.46 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 64.7 mm-40 -58.96 -41.96 88.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.404 ' HE1' ' CD2' ' A' ' 54' ' ' LEU . 17.3 mtm -58.09 -47.89 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.06 -43.34 62.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 55' ' ' GLU . 9.3 mp -64.56 -12.15 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.9 mm-40 -101.38 -58.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.12 -27.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -35.83 79.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 4.4 mt -59.57 141.5 88.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.92 32.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -108.43 -11.62 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 -2.43 9.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.57 45.34 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -87.65 123.49 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER 78.98 -54.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.85 -31.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' MET . 8.1 t -75.68 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -51.53 -37.31 48.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.552 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -61.89 -53.09 60.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -54.77 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -52.72 -20.32 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.7 -60.59 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 12.0 m-85 -39.3 -56.41 1.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -53.93 -51.52 63.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -48.81 -57.66 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -58.4 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.43 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.74 -46.96 4.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' THR . 4.0 mttt -61.86 -48.15 81.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 25' ' ' ILE . 1.4 mt -47.51 -33.75 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.9 -38.02 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.4 m -73.43 -67.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -40.78 -45.2 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.458 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -55.38 -44.5 76.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -81.54 -17.73 47.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' THR . 5.2 mtt180 -94.72 0.01 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ASP . 15.4 p -103.93 -35.61 8.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -71.7 -15.84 62.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.0 pt -86.75 46.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -121.1 121.94 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.9 m 71.01 82.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.31 148.03 7.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.81 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 t -119.74 152.17 37.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t 67.93 168.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.558 1.161 . . . . 0.0 110.994 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t 63.74 153.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.983 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.94 -58.89 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 -166.45 27.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -155.26 135.64 13.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 132.59 53.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.97 170.68 53.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.68 150.69 46.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 0.74 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.97 138.63 5.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' GLU . 15.1 m-85 -106.16 -66.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 6.5 mt-10 -38.79 -52.11 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -47.65 -67.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -62.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CE2' HD23 ' A' ' 54' ' ' LEU . 38.5 t80 -49.83 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.81 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.68 -36.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.8 mt -71.66 -64.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.525 HG21 ' CZ ' ' A' ' 14' ' ' PHE . 28.2 p -38.43 -47.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.44 -52.09 64.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.42 -36.82 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 mt -71.13 -60.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -40.7 -42.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 m -60.09 -58.28 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -54.14 -37.1 64.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.456 ' CD1' HD23 ' A' ' 86' ' ' LEU . 57.1 mt -60.93 -23.58 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.45 -20.2 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -97.23 -8.55 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -65.73 -50.13 56.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.11 8.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.21 -31.81 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 17.5 mt -67.21 158.66 80.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.95 174.14 13.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 3.21 5.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -96.61 -48.2 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 71.2 tttt -54.75 -58.58 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.75 -55.18 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -66.48 -47.14 74.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.6 tpp -53.43 -53.51 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 37.7 t -53.49 -21.68 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.36 -40.86 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -55.43 -35.98 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.498 ' CG1' ' CD1' ' A' ' 47' ' ' LEU . 5.7 t -72.72 -38.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 1.7 mt-10 -54.12 -29.01 43.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -68.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 62.8 mm-40 -42.81 -32.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.498 ' CD1' ' CG1' ' A' ' 43' ' ' VAL . 27.6 mt -70.53 -52.26 23.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.2 -27.28 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.01 -57.02 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -59.55 -38.18 80.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -41.33 -40.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLU . 1.9 tt0 -65.88 -46.13 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -45.53 -57.27 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 14' ' ' PHE . 3.4 mt -51.66 -33.1 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -69.31 -51.15 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -66.09 -45.67 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.42 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 30.7 mtm -58.61 -38.38 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.24 -35.32 48.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.24 -4.06 33.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.49 -44.1 3.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.571 HG23 ' CE2' ' A' ' 72' ' ' TYR . 1.4 t -56.3 -18.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -51.54 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.76 -36.67 84.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.487 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -47.04 142.82 4.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 164.93 32.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.442 1.759 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.37 7.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -95.87 -40.55 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.13 -43.18 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.78 -30.36 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.34 -35.69 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.571 ' CE2' HG23 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -42.38 -46.78 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.3 m -52.08 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.1 t-20 -39.9 -44.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 4.8 mmt180 -69.56 -56.06 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.85 -54.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -48.73 41.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 22.9 m-85 -41.58 -64.19 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -43.83 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -59.31 -58.03 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.93 -56.71 17.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -64.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.3 -38.47 19.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -43.37 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 25' ' ' ILE . 3.8 mt -51.79 -27.39 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -42.35 59.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -75.37 -60.85 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.28 -32.06 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 1.7 t80 -70.14 -46.61 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 1.3 pttp -68.55 -24.53 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -3.36 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 p -102.33 -39.83 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -71.22 -12.79 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 17.5 pt -93.45 -46.87 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.418 ' N ' HG13 ' A' ' 95' ' ' ILE . . . 39.8 48.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.3 m -156.74 165.98 34.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.97 164.06 15.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 p -149.32 -57.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.76 153.52 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.27 144.88 43.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -143.18 132.61 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 -132.68 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.43 169.47 18.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.32 143.61 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.66 108.61 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.417 1.073 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.58 146.07 42.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.67 106.43 2.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ASP . 18.0 m-85 -81.33 -59.68 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' CD ' ' CZ ' ' A' ' 72' ' ' TYR . 1.5 mp0 -37.85 -53.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -43.76 -44.87 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -74.36 -39.72 62.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.564 ' CD1' ' HE1' ' A' ' 57' ' ' MET . 53.0 t80 -59.17 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -51.44 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.11 -33.65 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.25 -67.97 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -41.81 -54.1 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.71 -42.8 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 91.9 mt -61.47 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.76 -44.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.0 m -59.89 -57.69 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -53.46 -40.1 65.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CD1' HD23 ' A' ' 86' ' ' LEU . 65.6 mt -60.21 -33.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.63 -13.0 58.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -98.64 -20.59 16.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.02 -51.91 66.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 1.48 7.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -123.48 8.65 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.6 mt -108.54 160.21 28.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.04 168.74 24.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -35.64 9.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -99.46 -26.35 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 35.2 tttt -62.25 -57.9 9.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.6 -57.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' ASN . 82.0 mm-40 -61.36 -45.91 92.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.7 tpp -56.47 -46.6 80.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.8 t -62.69 -13.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -101.79 -35.67 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.4 t-20 -63.93 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' CD1' ' A' ' 47' ' ' LEU . 15.1 t -66.38 -36.43 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.1 mt-10 -54.45 -39.61 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -55.79 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HB3' ' CD1' ' A' ' 21' ' ' ILE . 1.9 mp0 -54.8 -26.62 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.5 mt -73.43 -60.63 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.1 -27.33 61.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.48 -34.9 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' CE ' ' A' ' 83' ' ' MET . . . -77.9 -29.63 50.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -58.02 -55.76 30.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.62 -28.82 66.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.485 ' CD2' ' SD ' ' A' ' 57' ' ' MET . 2.2 mt -57.87 -64.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.501 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 88.9 mt -43.01 -37.71 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.29 -43.33 67.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.3 mm-40 -77.71 -55.42 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.564 ' HE1' ' CD1' ' A' ' 14' ' ' PHE . 3.0 mpp? -49.36 -35.38 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' N ' ' HE2' ' A' ' 76' ' ' MET . 5.6 t0 -81.72 -36.23 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 55' ' ' GLU . 4.3 mt -75.59 -2.14 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -111.4 -57.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.6 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.58 -26.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -47.39 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -17.11 61.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.2 mt -67.64 142.45 96.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.98 165.21 31.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 1.04 8.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.38 -21.26 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' GLY . 40.2 t -108.98 -39.45 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' SER . 3.5 ttt180 -37.31 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -37.7 134.18 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 80.61 -52.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -56.78 -45.41 82.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -58.05 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.63 -38.21 9.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 2.4 mmt180 -69.28 -59.98 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.427 ' HE2' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -39.55 -34.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -61.62 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 0.0 110.359 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.43 -47.14 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 13.9 m-30 -45.26 -69.63 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -39.51 -50.1 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -58.66 -47.5 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.426 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -65.39 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.489 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.55 -61.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.86 -48.24 45.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.39 -41.35 98.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 25' ' ' ILE . 2.2 mt -52.01 -31.8 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -38.79 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -79.9 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -46.63 -38.58 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -58.07 -46.14 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -31.28 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' HA ' HG12 ' A' ' 95' ' ' ILE . 3.5 mtt180 -78.67 3.35 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.6 p -110.26 -36.18 5.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -75.33 -20.81 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.406 HG12 ' HA ' ' A' ' 92' ' ' ARG . 1.0 OUTLIER -85.19 52.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.38 114.58 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.97 62.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.38 -158.56 19.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -46.21 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER 178.17 99.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 m 69.42 -66.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 100' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p -146.25 166.6 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.968 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.14 168.55 10.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.6 -162.62 23.25 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.6 106.28 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.22 -56.43 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.57 -177.17 20.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.98 164.71 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.362 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.88 129.08 2.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 6.4 m-85 -117.36 -61.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' TYR . 4.8 mp0 -38.96 -49.95 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.97 -64.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.43 -54.2 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HD22 ' A' ' 54' ' ' LEU . 70.6 t80 -52.16 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.89 -37.66 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -72.27 -44.61 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 18' ' ' THR . 12.0 mt -47.73 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 17' ' ' LEU . 32.1 p -35.37 -68.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . . . -40.2 -50.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.83 -52.84 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.502 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 33.2 mt -57.24 -65.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -35.86 -42.35 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.401 ' N ' HG21 ' A' ' 22' ' ' THR . 27.1 m -61.65 -62.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 12.2 mttt -51.6 -27.88 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 89' ' ' ASP . 50.3 mt -70.28 -31.32 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.47 -21.13 53.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.98 -17.13 26.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.03 -51.4 68.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 -14.64 20.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.463 1.77 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -102.89 6.97 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ARG . 26.8 mt -107.18 159.98 28.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.06 170.67 19.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.34 7.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -43.41 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.78 -29.95 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 6.9 tttm -59.73 -56.06 26.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -50.21 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -70.69 -43.81 68.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.406 ' SD ' ' HB3' ' A' ' 24' ' ' LYS . 31.0 tpp -56.54 -53.99 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.9 t -53.52 -21.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 -35.92 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.23 -42.72 86.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -66.03 -36.19 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.466 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -59.44 -27.92 66.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -81.09 -58.65 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.49 -30.01 38.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.07 -62.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 8.3 pt-20 -54.8 -32.06 59.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.8 mm-40 -66.14 -28.54 68.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.9 -29.99 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -39.11 64.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.94 -37.21 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -51.83 -65.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.567 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 2.5 mt -42.64 -35.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -70.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.5 mm-40 -48.98 -42.51 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.428 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 12.7 mtm -58.05 -47.65 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' N ' ' HE3' ' A' ' 76' ' ' MET . 14.8 t0 -71.73 -47.61 52.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.89 -14.15 31.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.6 mm-40 -97.61 -52.9 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -44.64 -28.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -34.09 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -21.87 42.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.461 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 4.7 mt -69.89 142.54 90.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 166.39 29.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -102.83 -19.0 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -116.51 10.83 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -30.1 12.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.07 -40.7 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -59.76 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -48.27 -55.22 11.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -54.58 14.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -49.54 -45.18 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -68.24 -47.31 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.423 ' HE3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -42.64 -53.45 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -32.73 72.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -67.36 -55.05 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 20.6 m-85 -49.53 -49.45 45.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' CG ' HD13 ' A' ' 54' ' ' LEU . 34.1 mttt -55.86 -39.02 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -65.86 -42.13 90.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.78 -51.13 44.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 4.7 mmm -58.03 -65.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.32 -30.29 2.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -43.68 76.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.502 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -51.13 -35.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.9 -19.22 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -94.87 -59.0 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 2.8 m-20 -54.4 -24.62 20.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.466 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 8.8 t80 -78.5 -37.64 42.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 2.1 tttp -85.19 -13.5 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -99.07 3.39 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.415 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -116.06 -38.4 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -76.53 0.16 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 13.0 pt -94.16 23.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.92 93.02 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.5 m -99.98 97.23 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.13 -145.76 46.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 82.2 2.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.52 154.05 20.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 p -172.36 -57.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -169.91 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p -167.72 142.9 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.85 113.67 3.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.49 -59.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.0 165.39 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.959 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.67 179.6 17.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -108.27 146.44 32.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.08 150.93 5.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' GLU . 35.7 m-85 -123.71 -67.1 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.6 mp0 -38.75 -50.37 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -50.55 -56.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.52 -59.46 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CE1' HD23 ' A' ' 54' ' ' LEU . 90.4 t80 -51.54 -53.22 40.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.88 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.64 -52.39 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 12.5 mt -50.83 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' CE2' ' A' ' 14' ' ' PHE . 24.4 p -42.77 -59.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.69 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -46.58 -51.05 16.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 46' ' ' GLN . 58.7 mt -57.36 -60.86 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.49 -45.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ALA . 20.7 m -59.71 -62.07 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -50.16 -34.66 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.357 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.478 ' CD1' HD23 ' A' ' 86' ' ' LEU . 69.6 mt -63.39 -31.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -81.45 -17.95 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -92.97 -18.29 22.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.3 -52.2 68.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -121.91 14.8 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.96 156.76 47.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.77 15.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.62 8.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -98.4 -36.76 9.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.85 -28.56 13.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 16.4 tttm -57.77 -57.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -59.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.58 -42.4 83.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.47 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 35.2 tpp -62.16 -38.55 89.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 73.5 t -73.95 -4.26 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.08 -37.35 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.25 -34.33 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 34.7 mm-40 -55.71 -33.27 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.71 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.496 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 15.4 mm-40 -50.32 -31.64 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' CD1' ' CD2' ' A' ' 90' ' ' PHE . 18.8 mt -71.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 51' ' ' ARG . 8.4 pt-20 -56.03 -36.25 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.42 -25.0 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.58 -32.68 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 48' ' ' GLU . 1.6 mtt180 -48.6 -41.13 29.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 9.4 pt-20 -65.36 -41.62 93.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -50.8 -54.84 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.557 HD23 ' CE1' ' A' ' 14' ' ' PHE . 2.6 mt -54.31 -31.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -53.95 12.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 41.3 mm-40 -64.24 -43.29 95.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.9 mtm -60.89 -40.49 93.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' N ' ' HE1' ' A' ' 76' ' ' MET . 10.1 t70 -79.06 -42.77 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.0 mt -65.69 -10.33 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 mm-40 -100.64 -51.58 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.586 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -49.61 -23.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 60' ' ' GLU . 16.5 mtm180 -61.6 -52.6 63.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -63.24 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.456 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 2.7 mt -55.86 142.07 64.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.456 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 165.13 31.97 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.525 1.802 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 -17.1 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.32 -11.7 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 4.0 ttp180 -70.8 -19.83 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -38.92 144.46 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.1 -60.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.83 -41.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -68.39 -50.96 49.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.07 -24.78 64.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.9 mtm180 -84.07 -33.15 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.425 ' HE1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -64.08 -54.92 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -50.49 -30.4 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLN . 10.1 t -76.98 -63.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 21.2 m-85 -38.5 -37.5 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -48.48 41.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -50.55 -33.96 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -82.44 -53.97 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -63.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.84 64.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.64 -41.75 95.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -54.13 -38.38 65.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -23.89 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -87.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.82 -36.45 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 2.8 t80 -64.53 -44.85 89.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.469 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 6.3 mtp180 -72.5 -32.07 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.229 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -65.24 -42.8 92.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -76.05 -13.23 60.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 92' ' ' ARG . 15.1 mt -74.71 -44.52 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.76 126.06 25.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.5 t -126.27 114.79 18.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.0 -152.4 51.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 122.26 7.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -162.33 -60.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.23 100.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 p -81.86 123.05 28.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 p -78.62 161.84 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.4 -130.57 1.59 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.13 114.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t 178.44 148.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.07 -101.41 2.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 62.99 154.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.17 -153.43 30.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -120.07 -59.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.75 -57.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -39.76 -54.03 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.16 -58.7 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE2' ' CD2' ' A' ' 54' ' ' LEU . 59.7 t80 -49.56 -57.6 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.28 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.0 t -54.59 -47.57 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 14.7 mt -53.29 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.444 HG23 ' CE1' ' A' ' 14' ' ' PHE . 35.4 p -39.15 -70.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.0 -53.41 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.57 -51.24 67.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 46' ' ' GLN . 54.2 mt -57.73 -63.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -37.62 -41.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.0 m -62.17 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' CG ' ' HE2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -47.19 -33.19 5.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 ' CD1' HD23 ' A' ' 86' ' ' LEU . 79.1 mt -67.5 -39.41 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -76.93 -10.61 59.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.23 -20.36 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -50.74 -50.49 73.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 2.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -129.87 34.96 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.527 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 52.2 mt -139.09 156.18 72.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 174.06 13.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 2.35 6.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 30.0 m-20 -100.55 -45.99 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.45 -35.81 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 22.6 tttt -52.44 -55.7 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.7 tptt -40.25 -60.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 5.3 mp0 -52.9 -53.11 53.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.527 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 1.9 ttm -54.8 -39.41 68.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 24.0 t -72.39 -5.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.75 -47.76 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -55.03 -39.29 68.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 47' ' ' LEU . 35.5 t -65.83 -42.56 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -51.68 -28.39 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -85.6 -67.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.471 ' HB3' ' CG1' ' A' ' 21' ' ' ILE . 1.4 mp0 -38.81 -38.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD12 ' CG1' ' A' ' 43' ' ' VAL . 48.2 mt -67.78 -57.03 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.22 -21.53 59.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 57.1 mm-40 -78.92 -57.41 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.17 -16.73 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.29 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 pt-20 -50.98 -30.01 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -61.38 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.592 ' CD2' ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -45.59 -35.56 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -64.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -55.43 -44.36 76.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.474 ' HE2' ' CD2' ' A' ' 54' ' ' LEU . 22.0 mtm -57.31 -43.32 83.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.33 -46.28 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.98 -14.84 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -98.87 -49.15 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.659 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.93 -22.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -64.87 -53.0 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.53 -38.71 81.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.46 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -41.41 142.34 0.99 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 161.74 38.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.53 8.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -95.0 -30.59 14.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' GLY . 21.7 t -97.39 -36.84 10.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 5.1 mtp180 -57.4 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -129.57 -69.24 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' TYR . 10.6 mmt -72.53 -52.41 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.2 -48.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -54.44 -62.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.49 -47.57 57.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 13.1 mtm-85 -59.26 -50.07 75.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -48.81 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -58.76 -24.12 61.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -86.95 -62.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 10.6 m-85 -37.34 -58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -47.99 -59.32 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -43.17 -63.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.95 -59.21 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -67.0 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.31 -35.43 43.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -41.08 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 1.3 mt -55.09 -35.71 64.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.08 -19.57 66.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -93.2 -69.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.92 -31.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -63.21 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 4.2 ptmt -68.92 -38.74 79.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 19.5 mtp85 -66.13 -47.65 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.44 ' OG ' ' CG2' ' A' ' 25' ' ' ILE . 2.5 m -44.44 -41.97 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.465 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 5.8 mtm105 -73.33 -35.37 66.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' ALA . 73.3 mt -59.08 -69.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 95' ' ' ILE . . . 39.23 82.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.09 165.5 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.13 115.61 3.2 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.99 4.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.1 t 63.07 129.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.34 -59.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p 177.85 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.64 149.9 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.81 -174.87 35.02 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.0 166.55 4.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.96 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -166.57 167.81 15.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.1 148.72 17.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.63 60.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 148.21 159.53 8.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 12.0 m-85 -107.97 -56.28 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 1.1 mp0 -40.22 -48.68 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -47.28 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -46.76 -59.21 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.503 ' CZ ' HG22 ' A' ' 18' ' ' THR . 37.4 t80 -49.55 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.55 -41.38 14.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -67.85 -35.64 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.3 mt -72.0 -62.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.503 HG22 ' CZ ' ' A' ' 14' ' ' PHE . 70.7 p -40.48 -48.34 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -65.49 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.85 -27.86 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' THR . 62.4 mt -80.21 -63.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -38.17 -45.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.415 ' N ' HG21 ' A' ' 22' ' ' THR . 20.0 m -56.56 -57.73 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -54.81 -39.31 68.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.478 ' CD1' HD21 ' A' ' 86' ' ' LEU . 64.2 mt -60.22 -26.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.31 -15.88 32.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.53 -19.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.34 -50.93 80.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.22 7.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -121.98 3.24 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.5 mt -103.28 161.02 24.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 169.71 22.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.13 6.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 64.6 m-20 -97.56 -44.41 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.45 -32.76 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.8 tttt -53.41 -61.15 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -38.84 -56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 3.6 mp0 -63.38 -46.28 87.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -56.29 -45.72 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.3 t -64.68 -12.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.54 -37.56 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -62.07 -38.48 88.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.38 -34.35 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mt-10 -58.71 -44.22 90.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.41 -52.98 21.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.456 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 51.0 mm-40 -59.15 -26.86 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.99 -57.23 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.2 pt-20 -60.07 -32.76 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 2.1 mm-40 -63.43 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -22.62 29.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -51.81 67.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.63 -37.52 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.79 -58.82 4.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.477 HD21 ' CE ' ' A' ' 57' ' ' MET . 3.8 mt -51.97 -32.09 31.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -46.99 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -69.89 -50.42 42.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.477 ' CE ' HD21 ' A' ' 54' ' ' LEU . 35.2 mtm -52.66 -42.09 64.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.11 -36.3 66.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -7.53 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 62' ' ' ARG . 2.1 mm-40 -107.08 -50.64 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.37 -25.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -62.07 -39.32 92.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.68 -39.34 77.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -45.07 142.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 159.62 41.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 59.79 5.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -167.58 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -81.17 -23.12 38.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -54.86 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 41.35 -98.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' ASN . 20.9 mmt -52.17 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.69 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.26 -52.2 66.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 71' ' ' MET . 14.3 t30 -72.18 -63.25 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 5.5 mtp85 -39.19 -34.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -60.98 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.47 -30.26 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -75.68 -54.53 6.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 8.8 m-85 -47.55 -32.18 5.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -77.01 -32.23 56.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -59.15 -36.15 74.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 16.1 tp10 -84.48 -51.49 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.409 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.87 -60.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.09 -43.0 62.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -41.7 96.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -52.28 -32.68 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.88 68.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -82.9 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.83 -32.84 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.415 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 5.0 t80 -69.0 -46.47 67.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -86.41 4.22 40.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.2 p -111.8 -32.74 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -85.65 3.3 41.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 28.6 pt -106.0 18.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.44 121.09 44.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.8 t -141.34 -46.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.44 -146.96 5.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.09 39.22 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -165.63 143.83 5.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 t 52.23 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 100' ' ' SER . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.103 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.8 119.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.05 -72.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.74 -163.47 31.74 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.11 156.41 24.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.55 156.19 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.15 171.56 18.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.65 146.39 43.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.58 130.86 1.18 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.9 -58.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -41.38 -55.95 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -42.99 -64.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -56.73 5.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 87.4 t80 -52.06 -61.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.29 -38.82 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -69.85 -37.96 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' PHE . 7.5 mt -63.35 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.481 ' HB ' ' CG ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -42.55 -26.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 17' ' ' LEU . . . -86.47 -58.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.12 -24.14 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.499 ' HB ' ' CD1' ' A' ' 86' ' ' LEU . 31.8 mt -81.12 -67.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -35.97 -44.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -57.99 -56.83 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -58.06 -28.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 HG21 ' CB ' ' A' ' 93' ' ' SER . 53.5 mt -71.16 -31.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -18.77 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 11.9 mtt180 -92.36 -17.05 25.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.94 -52.1 68.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.95 0.76 8.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -122.73 7.98 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.83 155.06 41.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 170.99 19.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.39 6.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.541 1.811 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.19 -42.17 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -94.53 -32.53 13.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.1 tttm -56.03 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -40.31 -52.89 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -68.39 -44.44 75.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 31.2 tpp -55.5 -56.02 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -51.68 -22.07 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.43 -34.88 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.18 -41.24 88.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.9 t -67.87 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.04 -31.01 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -58.34 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.86 -28.29 49.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.33 -61.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.9 pt-20 -55.87 -32.04 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.9 mm-40 -65.23 -30.61 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.8 -26.28 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -55.45 -41.97 73.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.47 -37.4 85.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -62.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.57 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 1.3 mt -47.8 -33.75 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.45 -53.0 18.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -63.34 -47.74 80.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.3 mtm -54.99 -44.23 74.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' N ' ' HE2' ' A' ' 76' ' ' MET . 9.2 t70 -73.28 -34.12 65.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.53 -7.19 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.8 mm-40 -106.57 -51.13 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.715 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.06 -25.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.89 -34.43 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.86 -23.77 38.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.522 HD11 ' CE2' ' A' ' 72' ' ' TYR . 5.3 mt -62.59 142.54 96.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 164.64 32.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.62 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.75 -14.0 18.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -123.13 6.73 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.63 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.48 -63.62 1.69 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -76.96 -59.7 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.715 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -35.2 -35.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.064 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -69.91 -63.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.91 -39.82 78.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.27 -47.25 86.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.424 ' HE2' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -51.64 -34.63 38.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -13.81 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.28 -54.36 3.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.8 m-85 -44.19 -46.05 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.76 -39.5 88.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -65.77 -49.62 67.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.481 ' CG ' ' HB ' ' A' ' 18' ' ' THR . 3.5 tp10 -57.95 -50.77 72.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 1.2 mmm -60.93 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 -33.07 1.76 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.86 -43.83 82.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.499 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -51.5 -36.32 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.95 -24.93 66.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -89.35 -62.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -31.95 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 4.8 t80 -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.514 ' O ' ' CG2' ' A' ' 95' ' ' ILE . 16.4 tttt -81.61 -32.2 32.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -81.13 5.56 16.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.469 ' CB ' HG21 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -111.54 -44.36 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -73.28 -3.45 27.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 91' ' ' LYS . 31.9 pt -94.78 27.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -109.04 144.33 37.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.81 -54.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -121.09 -171.86 14.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -44.28 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.561 1.821 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.73 130.2 31.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.1 p 178.43 -59.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.535 0.207 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -40.73 -56.77 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.9 -65.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.82 -67.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.861 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.9 t80 -41.51 -57.54 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.69 -52.53 8.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.7 -45.96 82.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.16 -68.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.861 HG21 ' CE1' ' A' ' 14' ' ' PHE . 25.6 p -38.87 -48.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.58 -66.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -34.99 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.718 HD11 ' HB3' ' A' ' 46' ' ' GLN . 94.5 mt -70.74 -63.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -39.55 -49.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 22' ' ' THR . 14.0 m -56.29 -55.02 38.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -56.14 -35.59 67.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.671 HD12 HD23 ' A' ' 86' ' ' LEU . 63.8 mt -63.73 -34.7 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.44 59.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -20.35 18.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.79 -50.82 75.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 1.31 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -125.21 17.07 8.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.19 157.17 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.02 169.33 22.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.76 -32.04 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.05 -22.18 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 41.2 tttt -67.73 -58.48 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.48 -54.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' ASN . 31.8 mm-40 -66.19 -46.68 76.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 36.0 tpp -54.48 -50.59 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 t -56.27 -20.08 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 -39.04 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.3 t30 -57.92 -33.29 68.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 47' ' ' LEU . 20.8 t -75.93 -31.45 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -60.24 2.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HB3' HD11 ' A' ' 21' ' ' ILE . 2.1 mp0 -51.43 -28.06 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.53 HD12 HG12 ' A' ' 43' ' ' VAL . 15.9 mt -71.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.7 pt-20 -54.3 -33.9 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.2 mt-10 -64.9 -27.64 68.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.21 -25.23 18.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -57.74 -44.0 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.66 -35.33 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -61.48 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.626 HD21 ' CE2' ' A' ' 14' ' ' PHE . 2.3 mt -47.21 -31.9 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 59' ' ' LEU . 6.5 mt-10 -73.87 -46.54 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -68.88 -44.54 73.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.463 ' HE2' HD23 ' A' ' 54' ' ' LEU . 29.5 mtm -60.25 -41.1 92.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -76.24 -35.62 58.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 55' ' ' GLU . 23.9 mt -74.74 -3.51 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.7 mm-40 -110.87 -51.83 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.48 -24.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 60' ' ' GLU . 12.5 mtt180 -61.78 -52.45 64.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.27 -32.14 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -50.01 142.18 13.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 164.57 33.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.4 7.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -100.64 -16.76 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLY . 6.7 t -114.08 -38.03 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -39.37 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -36.93 145.91 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.29 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.534 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -42.88 -43.18 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -64.83 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -43.89 -36.3 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 10.5 mtt-85 -73.99 -52.45 12.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -39.73 -44.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -45.3 85.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -58.64 -60.97 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.3 m-85 -42.28 -63.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -56.48 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -46.39 -56.66 5.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.37 -59.21 5.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -67.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.6 -41.65 18.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -43.31 94.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.671 HD23 HD12 ' A' ' 25' ' ' ILE . 1.4 mt -53.32 -34.53 57.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.79 -15.63 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -98.93 -62.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -26.2 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -68.8 -44.97 72.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.3 pttt -78.47 -26.13 46.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -81.21 4.17 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.77 -37.78 4.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -76.6 -12.2 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 91' ' ' LYS . 23.6 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.512 0.196 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -39.97 -54.61 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -62.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -47.55 -64.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 18' ' ' THR . 44.6 t80 -47.52 -55.19 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -48.97 27.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.75 -39.67 80.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.38 -69.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.765 HG21 ' CE1' ' A' ' 14' ' ' PHE . 77.2 p -38.57 -50.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.75 -63.52 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.69 -35.26 30.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.684 HG22 ' CD1' ' A' ' 25' ' ' ILE . 38.9 mt -71.57 -66.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -37.98 -42.96 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -61.98 -52.01 65.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 11.0 mttm -60.69 -36.28 78.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.684 ' CD1' HG22 ' A' ' 21' ' ' ILE . 79.7 mt -63.97 -32.52 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.46 -16.18 56.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -93.22 -17.43 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.52 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.99 -51.65 69.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 0.52 8.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -124.33 19.16 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.15 156.35 54.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.06 170.13 21.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -97.77 -38.06 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -99.09 -30.24 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 43.7 tttm -58.05 -59.54 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.56 -55.62 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 2.8 mp0 -65.48 -44.98 85.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -55.59 -49.67 72.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 53.7 t -60.56 -15.74 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 -35.21 10.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLN . 18.7 t30 -62.71 -39.57 94.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.638 HG13 HG23 ' A' ' 21' ' ' ILE . 41.9 t -67.89 -33.6 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mt-10 -59.84 -32.54 70.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -58.07 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -52.64 -28.69 22.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 43' ' ' VAL . 17.4 mt -71.12 -62.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.54 -33.69 64.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.25 -24.85 67.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.26 -28.4 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -55.81 -47.84 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -58.62 -39.08 79.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -61.25 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.702 HD13 ' HG2' ' A' ' 80' ' ' LYS . 1.9 mt -44.51 -36.43 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.566 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -64.72 -61.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 37.0 mm-40 -55.22 -47.48 75.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 mtm -56.48 -47.73 78.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 80' ' ' LYS . 38.5 t0 -69.54 -46.49 66.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 55' ' ' GLU . 11.0 mp -66.51 -10.04 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.3 mm-40 -102.19 -45.47 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.734 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -51.17 -22.54 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -66.74 -38.68 87.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -21.2 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.632 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.0 mt -69.31 140.63 90.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.632 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.02 161.91 37.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.29 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB3' HG23 ' A' ' 64' ' ' ILE . 6.1 t -81.74 -19.45 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 14.2 mtp180 -61.61 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.21 -102.95 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -60.34 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.734 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.13 -37.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -67.57 -60.72 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -58.72 -48.8 79.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -50.5 -47.29 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -44.91 68.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -22.23 64.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -86.94 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 19.0 m-85 -38.73 -58.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.702 ' HG2' HD13 ' A' ' 54' ' ' LEU . 7.1 mttt -50.69 -57.57 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.27 -57.81 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.57 -56.18 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.91 -71.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.82 -36.57 2.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -67.41 -45.79 75.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -50.31 -34.88 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.77 -26.68 67.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.433 HG22 ' HD3' ' A' ' 92' ' ' ARG . 1.3 m -87.37 -62.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.456 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -36.89 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.556 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.1 t80 -60.32 -46.39 90.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 1.2 tttt -67.8 -40.43 83.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.721 ' HA ' HD12 ' A' ' 95' ' ' ILE . 19.5 mtp85 -67.26 -37.87 84.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.45 ' OG ' HG22 ' A' ' 25' ' ' ILE . 3.2 m -58.72 -43.93 90.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -76.89 -13.52 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 92' ' ' ARG . 20.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 15.3 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.524 0.202 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 2.3 mp0 -38.27 -49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -44.63 -65.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.01 -58.0 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 54' ' ' LEU . 58.5 t80 -45.53 -63.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -50.37 8.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -44.8 86.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 12.9 mt -56.55 -73.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.6 p -37.94 -42.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.14 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.11 -29.44 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.685 HG23 HG13 ' A' ' 43' ' ' VAL . 62.2 mt -74.94 -62.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.05 -43.0 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 m -65.2 -60.27 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -51.52 -32.61 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.612 HD12 HD23 ' A' ' 86' ' ' LEU . 61.8 mt -66.78 -31.46 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -8.14 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -99.76 -18.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -54.51 -51.58 77.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.99 0.71 8.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -120.13 2.64 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' ARG . 30.3 mt -103.89 159.21 30.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.68 6.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 -49.4 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -85.47 -31.45 22.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 8.9 tttm -55.57 -58.89 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.42 -53.13 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ASN . 77.2 mm-40 -68.5 -47.16 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.4 tpp -52.98 -57.25 10.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.8 t -49.9 -23.18 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.28 -34.26 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.3 t30 -59.17 -43.61 92.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.685 HG13 HG23 ' A' ' 21' ' ' ILE . 25.4 t -65.4 -34.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 1.2 mt-10 -61.54 -20.53 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -88.06 -62.3 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.477 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.6 mp0 -51.21 -29.62 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.643 HD12 HG12 ' A' ' 43' ' ' VAL . 16.4 mt -70.24 -64.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.3 pt-20 -53.67 -33.66 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.54 -30.0 70.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -27.7 27.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.36 -32.17 71.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -58.37 -60.94 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.6 mt -43.9 -36.84 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 2.4 mt-30 -48.91 -45.26 41.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.563 ' HE2' HD23 ' A' ' 54' ' ' LEU . 14.3 mtm -53.66 -44.67 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.9 -42.06 28.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.67 -8.88 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.7 mm-40 -101.7 -53.93 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -43.33 -27.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -55.53 -41.95 73.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 60' ' ' GLU . 24.4 mt-10 -65.7 -44.13 87.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.704 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.6 mt -41.43 142.19 1.01 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.92 159.14 41.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.26 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.5 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 t -79.26 -27.79 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -49.43 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.8 -96.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.8 OUTLIER -54.95 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.645 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.29 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' MET . 4.2 t -71.71 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.79 -48.73 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 1.9 mmt180 -52.79 -53.0 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -41.85 -52.6 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.57 71.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -62.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 8.0 m-85 -37.6 -62.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.533 ' HG3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -45.79 -57.49 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -49.57 -47.43 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.72 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.6 mmm -44.91 -61.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.72 -34.03 9.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -73.71 -37.26 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.612 HD23 HD12 ' A' ' 25' ' ' ILE . 1.7 mt -58.27 -23.13 55.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -38.11 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -78.66 -67.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -35.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -62.56 -48.08 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.888 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.78 -19.54 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -86.48 1.81 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 p -109.46 -31.14 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -78.63 -18.9 53.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 91' ' ' LYS . 2.3 pt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.491 0.186 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.04 -54.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -44.64 -61.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.814 ' CE2' HD21 ' A' ' 54' ' ' LEU . 48.7 t80 -46.97 -50.87 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -54.83 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.64 -52.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD23 ' NE2' ' A' ' 46' ' ' GLN . 12.8 mt -50.63 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.763 HG21 ' CE1' ' A' ' 14' ' ' PHE . 20.3 p -40.4 -62.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.53 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.09 -48.84 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.864 HG23 HG13 ' A' ' 43' ' ' VAL . 99.0 mt -62.2 -58.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -37.65 -45.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.2 m -65.47 -56.46 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.37 -33.06 41.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 HD23 ' A' ' 86' ' ' LEU . 26.4 mt -65.7 -33.71 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.49 -15.67 58.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 mtt85 -93.03 -28.42 16.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -42.84 -50.94 12.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -23.36 13.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' ARG . 85.9 mtt180 -101.86 26.69 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.3 mt -123.9 159.19 57.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.1 Cg_endo -75.01 167.39 27.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.818 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -44.14 6.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.1 -29.98 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 30.1 tttt -56.25 -60.1 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.69 -53.26 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 42' ' ' ASN . 32.2 mm-40 -67.15 -44.15 80.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -57.24 -48.69 78.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 49.1 t -59.69 -16.3 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.39 -37.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLN . 17.9 t30 -60.74 -38.38 84.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.864 HG13 HG23 ' A' ' 21' ' ' ILE . 40.8 t -68.98 -34.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.3 mt-10 -58.61 -31.6 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.784 ' HB3' HD11 ' A' ' 21' ' ' ILE . 7.4 mm100 -53.89 -32.14 52.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 86' ' ' LEU . 16.8 mt -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 6.7 pt-20 -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.6 mm-40 -66.47 -26.54 67.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.37 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.68 -45.92 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 15.7 pt-20 -62.89 -35.64 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -54.01 -59.25 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.814 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.7 mt -48.72 -34.03 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -54.73 21.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.91 -43.39 96.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.586 ' HE2' HD23 ' A' ' 54' ' ' LEU . 20.2 mtm -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.36 -8.13 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.0 mm-40 -106.48 -54.46 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -46.66 -26.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -58.95 -54.41 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -39.44 93.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.8 mt -44.28 141.7 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.03 164.86 32.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 2.24 6.81 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.767 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -101.47 -16.43 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 70' ' ' GLY . 35.9 t -115.98 -34.34 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' GLY . 4.5 ttt180 -39.64 -28.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -35.16 151.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 2.1 mmt 64.14 -66.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.627 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.74 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -62.3 -51.8 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.33 -41.4 79.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 75.7 mtt-85 -71.2 -40.31 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -44.34 29.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -72.62 -59.17 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -42.43 -44.51 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 4.3 m-85 -55.67 -62.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -43.05 -48.98 6.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -44.35 -53.76 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -59.16 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -54.16 -37.27 58.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 25' ' ' ILE . 5.7 mt -54.43 -28.77 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.29 -39.51 74.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -74.47 -65.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.22 -48.85 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.27 -43.77 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.831 ' O ' HG23 ' A' ' 95' ' ' ILE . 16.0 tttt -75.88 -31.05 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -80.9 4.71 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.425 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -111.31 -44.48 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.54 -29.53 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 91' ' ' LYS . 34.3 pt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' GLU . 9.7 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.521 0.2 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 8.2 mt-10 -38.0 -48.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -48.21 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.93 -56.61 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.664 ' CE1' HD21 ' A' ' 54' ' ' LEU . 69.3 t80 -51.46 -62.54 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.46 -52.16 10.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.24 -45.19 84.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 46' ' ' GLN . 11.8 mt -60.12 -64.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.661 HG21 ' CE2' ' A' ' 14' ' ' PHE . 32.0 p -40.89 -57.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 -66.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -43.38 -52.77 5.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.8 HD11 ' CB ' ' A' ' 46' ' ' GLN . 62.4 mt -54.7 -57.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -41.55 -48.96 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' THR . 4.9 m -58.26 -59.24 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 8.1 mttp -52.35 -37.86 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.74 ' CD1' HG22 ' A' ' 21' ' ' ILE . 58.8 mt -62.06 -28.69 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -13.67 44.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -95.28 -17.63 21.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.68 -51.84 72.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -120.59 9.43 10.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 mt -112.68 156.99 41.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 171.99 17.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 2.81 6.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -97.1 -41.69 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -96.78 -26.99 14.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 44.6 tttt -61.1 -50.98 71.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -51.79 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.2 mp0 -70.15 -44.11 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 32.4 tpp -56.37 -53.04 62.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.07 -19.46 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.24 -39.98 9.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.21 -37.25 69.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.78 HG13 HG23 ' A' ' 21' ' ' ILE . 44.7 t -71.68 -34.57 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.5 mm-40 -60.36 -30.21 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -59.38 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.8 ' CB ' HD11 ' A' ' 21' ' ' ILE . 10.0 mm-40 -52.5 -27.52 16.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 43' ' ' VAL . 18.6 mt -75.6 -60.19 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -58.39 -25.63 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.14 -30.41 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.27 -24.84 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -57.84 -40.36 79.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.86 -33.35 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -56.01 -58.81 6.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.664 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.8 mt -49.36 -33.9 14.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -50.96 46.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.66 -43.09 85.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.546 ' HE2' HD23 ' A' ' 54' ' ' LEU . 27.1 mtm -60.73 -40.88 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -74.85 -36.37 62.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.12 -6.91 45.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.91 -47.42 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.22 -24.97 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -61.18 -46.23 91.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.22 -34.51 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.718 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.7 mt -50.42 142.64 14.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 164.35 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -103.5 -24.73 13.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -104.67 -2.21 25.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.12 42.83 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.9 -79.35 0.85 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -64.68 -56.68 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.27 -55.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -48.4 -61.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.88 -47.81 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.1 mtt180 -52.01 -56.47 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mmt -40.4 -56.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -46.82 45.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.42 -66.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 17.4 m-85 -37.45 -60.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.527 ' HG2' HD13 ' A' ' 54' ' ' LEU . 9.6 mttm -46.93 -53.21 12.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -51.49 -60.84 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -60.05 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.07 -71.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.74 -34.75 3.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.84 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' HB3' HD21 ' A' ' 47' ' ' LEU . 2.6 mt -51.39 -31.49 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -33.25 72.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -83.01 -56.52 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -26.77 27.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.535 ' HA ' HG23 ' A' ' 25' ' ' ILE . 1.2 t80 -72.49 -45.52 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -69.66 -38.02 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.491 ' HA ' ' CG1' ' A' ' 95' ' ' ILE . 46.1 mtp180 -74.81 -0.81 19.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.497 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.35 -41.97 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.417 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 8.1 ptt85 -75.96 -22.84 55.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.603 HG23 ' O ' ' A' ' 91' ' ' LYS . 2.0 pp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.475 0.179 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 79' ' ' TYR . 1.5 mp0 -38.82 -52.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.51 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -42.86 -57.68 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.7 t80 -51.94 -58.46 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.69 -51.77 5.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 t -57.12 -46.76 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' CD ' ' A' ' 46' ' ' GLN . 13.3 mt -55.47 -70.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.777 HG21 ' CE1' ' A' ' 14' ' ' PHE . 18.3 p -38.74 -57.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.91 -68.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.93 -50.22 10.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.8 HD11 ' CB ' ' A' ' 46' ' ' GLN . 48.1 mt -56.12 -66.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -39.0 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -66.6 -53.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 10.2 mttt -57.78 -38.11 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.618 HD12 HD23 ' A' ' 86' ' ' LEU . 70.3 mt -61.79 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.07 -15.57 46.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.79 -19.65 20.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.74 -51.31 77.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.94 0.66 8.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -122.79 6.4 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.16 156.76 37.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.55 7.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.95 -45.98 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.62 -32.7 16.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 32.6 tttt -56.01 -58.25 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.48 -53.8 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 42' ' ' ASN . 41.4 mm-40 -67.5 -45.78 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.447 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 34.4 tpp -54.42 -54.82 35.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.0 t -51.29 -22.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.29 -36.46 12.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' GLN . 11.8 t-20 -60.34 -40.04 89.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG13 HG23 ' A' ' 21' ' ' ILE . 42.6 t -68.07 -36.56 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.3 mt-10 -56.51 -34.17 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.84 -57.36 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.8 ' CB ' HD11 ' A' ' 21' ' ' ILE . 12.4 mm-40 -53.39 -29.02 32.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 86' ' ' LEU . 17.2 mt -73.18 -58.4 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.19 -35.82 78.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.77 -29.57 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.26 -26.96 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.31 -39.35 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.46 -31.6 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.236 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -60.0 -61.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.651 HD21 ' CE2' ' A' ' 14' ' ' PHE . 2.7 mt -45.54 -35.51 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.66 ' O ' HD23 ' A' ' 59' ' ' LEU . 28.5 mt-10 -69.11 -62.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.2 -44.44 67.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.406 ' HE3' HD23 ' A' ' 54' ' ' LEU . 25.7 mtm -56.21 -48.11 77.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 -42.99 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 55' ' ' GLU . 4.4 mm? -63.56 -12.28 31.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -102.09 -42.24 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.742 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -48.92 -23.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -50.16 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.9 -39.63 94.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.683 HG23 ' HD2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -49.35 141.5 11.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.683 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.97 166.65 28.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.87 7.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.32 -20.23 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -119.32 17.05 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLY . 6.7 ttt180 -100.45 -35.89 9.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -35.01 -48.19 0.74 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -65.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.742 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -44.19 -55.68 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.43 -53.68 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -55.67 -37.99 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.4 mtt-85 -65.7 -45.67 81.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.496 ' O ' ' CE ' ' A' ' 80' ' ' LYS . 65.1 mmm -62.6 -32.54 73.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -81.34 -23.48 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -50.86 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' OH ' ' CG ' ' A' ' 11' ' ' GLU . 10.4 m-85 -46.06 -54.49 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -47.3 -48.55 25.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -49.06 -55.15 12.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.91 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -63.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.53 -42.61 44.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -43.0 96.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.719 HD22 HG22 ' A' ' 21' ' ' ILE . 4.4 mt -52.13 -31.99 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -35.81 71.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -77.19 -63.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.467 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -43.49 -44.43 5.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.72 -43.5 76.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.773 ' O ' HG23 ' A' ' 95' ' ' ILE . 13.9 tttp -75.74 -32.08 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mtp180 -82.67 3.69 27.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.44 -40.97 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -77.53 0.2 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.773 HG23 ' O ' ' A' ' 91' ' ' LYS . 31.5 pt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.2 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.535 0.207 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -38.65 -53.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -44.0 -54.79 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -55.96 28.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 90.2 t80 -49.39 -55.92 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -60.28 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -50.33 -34.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 14.6 mt -69.79 -50.44 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -64.15 -11.38 29.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.62 -53.25 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.32 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.921 HG23 HG13 ' A' ' 43' ' ' VAL . 82.7 mt -53.22 -56.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -44.58 -54.72 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.532 ' N ' HG22 ' A' ' 22' ' ' THR . 45.6 m -52.8 -58.46 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 6.1 mttp -54.05 -36.68 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.845 ' CD1' HG22 ' A' ' 21' ' ' ILE . 69.4 mt -64.32 -32.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.41 -10.61 58.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -98.38 -21.82 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.14 -49.78 82.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 1.28 7.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -127.62 21.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.9 mt -122.09 158.95 53.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 169.79 21.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.92 -39.44 8.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -95.66 -28.42 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -60.49 -57.86 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -56.9 1.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -62.85 -49.0 76.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.485 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 39.1 tpp -52.44 -51.36 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.7 t -55.08 -21.17 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.73 -40.6 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.24 -43.61 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.921 HG13 HG23 ' A' ' 21' ' ' ILE . 38.9 t -65.56 -38.81 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mm-40 -58.71 -19.18 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -63.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.642 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.7 mp0 -50.23 -33.28 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 43' ' ' VAL . 18.6 mt -66.35 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.8 pt-20 -51.62 -31.79 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.5 mt-10 -66.88 -31.31 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.3 -27.24 29.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.39 -38.77 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -63.5 -50.56 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -53.4 -35.14 60.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.22 -61.2 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 3.1 mm-40 -62.18 -39.17 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.463 ' HE3' HD23 ' A' ' 54' ' ' LEU . 12.0 mtm -59.71 -50.36 74.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.91 -19.73 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.62 5.4 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.5 mm-40 -116.58 -42.24 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.714 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 2.0 t -47.02 -26.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -61.86 -36.33 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' GLU . 5.2 mm-40 -75.16 -41.11 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.733 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.8 mt -40.16 142.77 0.68 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.2 8.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.66 -30.1 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -94.96 -30.35 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -62.45 -175.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.15 -78.65 0.26 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -49.62 73.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.714 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -39.71 -42.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 t -66.87 -55.29 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -51.76 -23.25 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -90.32 -40.09 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -35.48 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -49.44 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -45.29 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -44.45 -59.2 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -42.25 -46.17 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mmm -49.35 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.98 -33.7 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -72.37 -41.07 66.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.86 -25.11 18.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -40.26 69.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -72.86 -67.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.41 -39.48 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.598 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -59.36 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -70.97 -26.51 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' HA ' HG12 ' A' ' 95' ' ' ILE . 11.3 mtp180 -84.52 -1.49 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.448 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.67 -34.27 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.437 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -76.59 -24.14 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.524 0.202 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.83 -51.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.36 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -42.49 -62.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.831 ' CE1' HG21 ' A' ' 18' ' ' THR . 49.3 t80 -50.26 -56.54 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -54.13 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 7.5 t -56.31 -52.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.19 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.831 HG21 ' CE1' ' A' ' 14' ' ' PHE . 81.0 p -38.95 -37.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -63.34 -67.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -49.44 -34.79 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.673 HG23 HG13 ' A' ' 43' ' ' VAL . 93.7 mt -65.86 -64.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -39.67 -49.46 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' CG2' ' A' ' 22' ' ' THR . 20.2 m -55.06 -58.96 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' VAL . 26.1 mttt -52.51 -44.29 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.517 ' CD1' HG22 ' A' ' 21' ' ' ILE . 66.8 mt -54.29 -23.0 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -91.4 -24.05 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.94 -7.0 44.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -66.02 -50.24 52.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -31.02 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ARG . 20.0 mt -67.79 160.28 74.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.52 16.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.25 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 83.3 m-20 -101.27 -40.8 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.54 -24.54 17.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.5 tttm -63.06 -57.31 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.4 -58.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.4 mp0 -61.71 -47.93 83.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.4 tpp -54.09 -47.53 71.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 43.9 t -60.49 -17.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.84 -38.23 9.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.77 -34.07 73.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.685 HG12 HD12 ' A' ' 47' ' ' LEU . 30.3 t -73.71 -33.71 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -57.77 -35.84 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.32 -57.02 4.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.4 mp0 -52.82 -30.28 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 HG12 ' A' ' 43' ' ' VAL . 18.2 mt -75.1 -57.38 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -60.85 -27.14 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.4 -29.05 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -87.03 -31.1 20.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -53.05 -45.66 68.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 8.9 pt-20 -63.01 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -52.71 -58.21 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.665 HD21 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -48.58 -34.68 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.462 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.59 -61.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLU . 23.6 mm-40 -55.87 -48.31 75.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.413 ' CE ' HD23 ' A' ' 54' ' ' LEU . 37.0 mtm -54.11 -50.92 65.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.69 -55.75 23.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 55' ' ' GLU . 8.1 mp -61.8 -13.78 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 tt0 -92.56 -59.48 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.639 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -40.75 -29.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' GLU . 1.8 mtp180 -55.16 -47.51 75.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -63.69 -41.16 98.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.66 HG23 ' HD2' ' A' ' 65' ' ' PRO . 6.1 mt -46.31 141.74 4.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.07 167.17 27.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -102.1 -4.52 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ARG . 47.2 t -128.98 -42.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HG2' HG13 ' A' ' 61' ' ' VAL . 3.9 mtp180 -38.02 -36.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -38.57 137.04 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER 81.26 -53.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.639 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -53.96 -60.8 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.8 t -44.7 -56.66 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -50.03 -42.42 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.09 -41.64 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.9 mmm -58.76 -33.69 70.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -77.6 -22.29 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.16 -53.69 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 6.1 m-85 -41.58 -61.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -40.37 -51.85 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -45.83 -58.89 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.7 OUTLIER -65.71 -59.77 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -62.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.62 -34.77 36.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.5 tttt -71.14 -37.39 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HB3' HD21 ' A' ' 47' ' ' LEU . 2.8 mt -58.66 -24.73 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -33.21 64.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.407 ' C ' ' N ' ' A' ' 90' ' ' PHE . 1.2 m -82.87 -63.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.35 -27.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' THR . 1.8 t80 -74.7 -45.34 44.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.823 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -72.28 -30.06 64.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.403 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 10.2 mtp180 -83.6 -1.95 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.6 p -105.14 -39.97 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -72.02 -18.92 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 91' ' ' LYS . 25.1 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.1 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.458 0.17 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.23 -40.32 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -57.94 -60.7 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -52.7 55.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.657 ' CE1' HD21 ' A' ' 54' ' ' LEU . 78.4 t80 -55.54 -55.66 29.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.17 -52.69 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.14 -46.74 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 17' ' ' LEU . 13.4 mt -56.56 -66.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.461 HG21 ' CZ ' ' A' ' 14' ' ' PHE . 16.8 p -41.06 -64.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.9 10.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -55.96 25.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.622 HD11 ' HB3' ' A' ' 46' ' ' GLN . 74.6 mt -53.24 -61.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -38.57 -45.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ALA . 42.5 m -58.56 -62.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -51.34 -29.52 15.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.661 HD12 HD23 ' A' ' 86' ' ' LEU . 75.6 mt -73.55 -30.25 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -88.0 -5.55 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' LEU . 26.2 mtt180 -106.82 -13.4 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.739 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -56.43 -51.82 78.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.06 1.6 7.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -115.8 -9.87 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 43.0 mt -97.9 159.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 173.86 13.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.67 6.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.793 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.55 -43.79 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.5 -35.79 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 5.6 tttm -51.45 -58.66 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.6 tttp -40.0 -57.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -54.83 -50.1 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.739 ' HG2' HG23 ' A' ' 28' ' ' VAL . 2.5 ttm -57.7 -40.09 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 74.7 t -68.69 -8.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -104.68 -41.99 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -58.73 -38.05 77.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.736 HG12 HD12 ' A' ' 47' ' ' LEU . 25.8 t -67.92 -39.76 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -52.43 -31.11 32.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -66.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.622 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.7 mp0 -40.08 -32.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.736 HD12 HG12 ' A' ' 43' ' ' VAL . 33.6 mt -72.34 -59.11 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.57 -24.93 58.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -72.48 -56.44 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -34.06 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -43.48 -40.6 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 4.6 pt-20 -66.91 -42.07 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -48.78 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.7 mt -45.1 -35.19 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -64.83 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -51.11 -43.51 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.499 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 26.2 mtm -58.96 -41.99 88.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.44 -43.64 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' GLU . 10.8 mp -65.91 -11.28 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.4 mm-40 -102.39 -46.75 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.704 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.46 -25.78 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.22 -46.5 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -66.28 -42.24 88.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.723 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.0 mt -42.48 142.57 1.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.03 164.99 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.95 8.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -101.45 -29.98 11.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.439 ' HB3' HG23 ' A' ' 64' ' ' ILE . 1.4 t -94.62 -33.88 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 10.6 mtp180 -58.24 -27.88 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.6 -39.52 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -56.89 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.704 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -46.82 -39.33 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 75' ' ' ARG . 13.6 t -68.58 -61.45 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -42.12 -28.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 12.9 mtt180 -82.4 -47.23 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.499 ' HE3' ' HB3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.35 -31.87 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.49 -38.62 87.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -55.15 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 16.6 m-30 -39.48 -62.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.87 -50.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -58.78 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -60.56 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -64.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.77 -34.34 36.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.437 1.086 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -68.72 -43.51 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.369 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -51.34 -30.89 20.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -28.28 65.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -84.84 -67.82 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.16 -40.87 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.7 t80 -56.62 -42.95 79.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.3 -31.3 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 18.1 mtp180 -77.67 -0.12 25.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.439 ' OG ' HG11 ' A' ' 28' ' ' VAL . 3.0 p -108.2 -43.98 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' HG11 ' A' ' 28' ' ' VAL . 18.8 ptt85 -71.52 -8.48 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.84 HG23 ' O ' ' A' ' 91' ' ' LYS . 40.5 pt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.519 0.199 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.9 mp0 -38.2 -53.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -45.16 -62.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -55.1 25.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.739 ' CE2' HD21 ' A' ' 54' ' ' LEU . 45.7 t80 -50.34 -65.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.92 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.09 -43.26 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' PHE . 10.6 mt -57.39 -65.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' ALA . 25.4 p -41.47 -67.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . . . -39.99 -59.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.37 -51.25 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.717 HG23 HG13 ' A' ' 43' ' ' VAL . 34.4 mt -54.41 -63.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -38.7 -48.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.39 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ALA . 47.6 m -53.16 -66.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -46.99 -37.73 9.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.674 ' CD1' HG22 ' A' ' 21' ' ' ILE . 80.2 mt -66.51 -37.73 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.53 -12.33 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -97.96 -18.98 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.796 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -51.94 -50.8 76.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 2.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -128.67 21.24 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 38.7 mt -126.13 159.44 62.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.74 -50.17 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.43 -32.85 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -53.71 -59.2 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.59 -56.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -57.47 -51.38 69.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.796 ' HG2' HG23 ' A' ' 28' ' ' VAL . 2.6 ttm -55.77 -40.98 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 78.8 t -70.05 -7.29 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.14 -47.45 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -53.68 -40.08 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.717 HG13 HG23 ' A' ' 21' ' ' ILE . 55.5 t -65.78 -40.39 87.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -55.89 -26.86 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -57.65 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -52.37 -28.3 18.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 47' ' ' LEU . 17.8 mt -70.51 -63.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.0 pt-20 -53.05 -32.11 45.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.76 -29.52 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.61 -27.36 23.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -57.93 -37.97 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -31.51 69.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -57.82 -55.61 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.739 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.1 mt -52.13 -33.61 40.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -65.76 -54.64 24.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -63.28 -48.61 77.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.8 mtm -54.29 -45.12 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -71.58 -36.91 71.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -70.55 -7.54 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -107.95 -43.0 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.648 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.52 -22.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -61.23 -44.95 96.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.83 -30.23 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.724 HG23 ' HD2' ' A' ' 65' ' ' PRO . 7.3 mt -54.29 142.4 49.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.06 162.99 36.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.27 -23.66 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 t -105.64 -44.46 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.45 ' CD ' HG13 ' A' ' 61' ' ' VAL . 6.9 mtp180 -44.14 -32.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.96 0.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -60.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.648 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -46.22 -47.8 17.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 t -52.3 -56.89 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.31 -38.46 19.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.569 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.26 -48.18 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -42.95 -58.32 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -51.48 42.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -63.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 8.2 m-85 -38.17 -64.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.25 -56.34 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -48.8 -58.31 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.88 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 mmm -44.51 -60.69 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.63 -35.03 15.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -41.38 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.1 -28.73 26.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -24.97 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -91.1 -62.52 1.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -47.67 -34.13 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.542 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.0 t80 -62.69 -42.77 99.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.825 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -77.69 -27.82 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 9.6 mtp180 -80.87 1.04 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.596 ' OG ' HG11 ' A' ' 28' ' ' VAL . 1.5 p -106.66 -46.15 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -67.94 -24.3 65.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 91' ' ' LYS . 47.4 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 9.5 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.479 0.18 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -42.42 -52.05 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -65.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.85 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' A' ' 18' ' ' THR . 91.3 t80 -40.5 -62.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.58 -55.37 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -53.68 -38.17 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.43 -66.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.658 HG21 ' CE2' ' A' ' 14' ' ' PHE . 80.4 p -38.93 -45.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.53 -61.67 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -28.38 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.568 HG23 HG13 ' A' ' 43' ' ' VAL . 45.2 mt -78.85 -65.17 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.75 -46.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.1 m -61.46 -55.49 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 17.2 mttm -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.713 HD12 HD23 ' A' ' 86' ' ' LEU . 65.9 mt -58.29 -32.6 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.15 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.0 mtm180 -88.48 -32.49 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.492 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -37.89 -53.25 2.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -29.59 8.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 32.0 mtt180 -95.04 31.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 47.4 mt -129.86 159.68 68.72 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.97 168.6 24.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.72 7.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.69 -33.03 9.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.58 -21.5 14.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 18.7 tttm -64.33 -57.27 9.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -57.51 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ASN . 25.1 mm-40 -59.28 -43.74 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.489 ' HG3' HG23 ' A' ' 28' ' ' VAL . 30.0 tpp -61.14 -39.62 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.6 t -76.12 -1.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.42 -36.27 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' GLN . 9.9 t-20 -66.39 -44.24 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.568 HG13 HG23 ' A' ' 21' ' ' ILE . 39.1 t -61.43 -36.96 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -54.34 -19.22 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -58.89 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.71 -31.12 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.488 HD12 HG12 ' A' ' 43' ' ' VAL . 17.8 mt -68.82 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.98 -28.66 24.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.49 -28.76 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.22 -27.64 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.06 -46.35 88.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.98 -36.38 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -54.1 -58.4 7.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.61 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.5 mt -50.95 -31.05 16.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.7 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.36 -51.14 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.501 ' HE2' HD23 ' A' ' 54' ' ' LEU . 32.5 mtm -55.05 -39.1 68.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.36 -49.43 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -8.87 46.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.18 -47.47 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.67 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.67 -23.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.14 -52.15 66.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 64' ' ' ILE . 5.0 pt-20 -62.34 -40.67 97.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.0 mt -42.42 142.57 1.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 163.04 36.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.05 -17.84 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -112.21 -24.99 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLY . 5.7 mtp180 -67.37 -28.82 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -37.4 -44.55 1.21 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.67 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -40.16 -50.81 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' ARG . 36.5 p -50.63 -69.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -41.67 -29.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -78.86 -51.25 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.83 -46.01 3.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.98 -47.12 87.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -58.97 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 11' ' ' GLU . 15.3 m-85 -47.82 -61.41 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -55.18 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -50.95 -55.27 18.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.98 -54.64 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.71 -68.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.84 -39.05 4.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 88' ' ' THR . 11.6 ttmt -67.1 -46.09 75.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.713 HD23 HD12 ' A' ' 25' ' ' ILE . 1.3 mt -49.32 -30.16 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -36.08 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' LYS . 1.3 m -81.63 -60.46 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.364 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -33.28 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.425 ' HA ' HG23 ' A' ' 25' ' ' ILE . 4.8 t80 -66.79 -46.74 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -74.81 -20.8 59.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.404 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 4.9 mtp180 -88.85 -0.27 57.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.8 p -107.22 -37.93 6.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 25.4 ptt180 -76.76 -2.38 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 91' ' ' LYS . 24.2 pt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.435 ' HB3' HD23 ' A' ' 53' ' ' LEU . 14.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.482 0.182 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.94 -53.15 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.2 tt0 -44.04 -68.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -65.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.794 ' CE2' HG21 ' A' ' 18' ' ' THR . 54.2 t80 -44.34 -49.73 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -51.73 -57.04 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.85 -42.41 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' OE1' ' A' ' 46' ' ' GLN . 10.8 mt -62.41 -72.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.794 HG21 ' CE2' ' A' ' 14' ' ' PHE . 41.7 p -38.56 -38.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.36 -68.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -45.02 -28.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.789 HD11 ' CB ' ' A' ' 46' ' ' GLN . 54.3 mt -78.86 -56.43 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -44.77 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -65.34 -55.43 18.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -52.62 -38.38 60.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.626 HD12 HD23 ' A' ' 86' ' ' LEU . 52.3 mt -62.65 -33.33 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.8 -8.94 59.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.9 mtt180 -101.71 -21.12 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.86 -51.04 77.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -123.05 9.1 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.0 mt -109.61 153.72 42.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.37 -39.0 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -99.11 -29.17 13.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.9 tttt -59.53 -57.69 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.48 -54.84 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -67.33 -48.65 66.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -51.79 -55.24 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 47.8 t -49.99 -25.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.78 -41.04 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -56.46 -33.54 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 47' ' ' LEU . 17.8 t -75.66 -42.63 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.8 mt-10 -48.82 -32.53 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -69.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.789 ' CB ' HD11 ' A' ' 21' ' ' ILE . 19.9 mm-40 -38.68 -33.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 43' ' ' VAL . 44.2 mt -70.62 -62.38 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 5.4 pt-20 -53.82 -23.95 13.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.32 -55.96 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -60.12 -63.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -44.85 -39.46 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -52.1 -62.7 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.746 HD13 ' HG2' ' A' ' 80' ' ' LYS . 3.4 mt -42.32 -36.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -55.9 18.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.62 -43.01 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.548 ' HE2' HD23 ' A' ' 54' ' ' LEU . 32.7 mtm -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -77.61 -34.72 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.59 -3.83 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.35 -50.02 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.636 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 1.3 t -52.33 -23.37 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -49.34 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.54 -28.29 66.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.722 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.6 mt -57.27 142.06 76.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.97 162.81 36.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.12 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -35.48 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' ARG . 46.3 t -89.71 -45.6 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -37.23 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 40.78 -94.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -57.43 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.771 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.636 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.42 -47.89 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -55.3 -49.77 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' ARG . 2.6 m-20 -69.67 -58.61 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -44.29 -27.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -40.48 70.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -63.89 -28.59 69.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -80.95 -54.4 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.058 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 75' ' ' ARG . 20.9 m-85 -47.81 -65.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.746 ' HG2' HD13 ' A' ' 54' ' ' LEU . 9.7 mttt -45.99 -49.19 16.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -53.14 -62.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -53.2 51.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.87 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.45 -39.77 3.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -67.38 -45.27 76.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.626 HD23 HD12 ' A' ' 25' ' ' ILE . 1.6 mt -50.78 -30.57 14.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -37.02 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.6 m -80.75 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -42.1 -33.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -64.52 -47.97 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.878 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.92 -31.6 63.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -78.23 2.62 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -30.61 8.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -13.24 41.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.878 HG23 ' O ' ' A' ' 91' ' ' LYS . 1.6 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.536 0.207 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.49 -50.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -43.68 -65.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -48.92 -62.83 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.799 ' CE2' HD21 ' A' ' 54' ' ' LEU . 60.9 t80 -45.2 -58.7 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -51.78 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.0 t -56.98 -43.53 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 7.7 mt -58.58 -66.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.72 HG21 ' CE1' ' A' ' 14' ' ' PHE . 41.1 p -41.96 -58.35 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 22' ' ' THR . . . -49.89 -60.58 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.47 -49.35 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.625 HD11 ' CB ' ' A' ' 46' ' ' GLN . 85.1 mt -59.14 -63.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -37.63 -42.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.2 m -62.63 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -49.9 -31.17 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 86' ' ' LEU . 66.1 mt -70.99 -34.76 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -84.63 -1.83 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -111.65 -16.41 13.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.676 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -53.47 -51.82 72.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.0 1.23 7.97 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.42 22.95 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD12 ' SD ' ' A' ' 39' ' ' MET . 48.0 mt -127.72 160.28 61.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -100.89 -47.96 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -82.86 -34.65 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 3.1 tttm -51.95 -57.95 7.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.68 -62.28 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -49.79 -55.64 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.676 ' HG2' HG23 ' A' ' 28' ' ' VAL . 3.9 ttm -54.41 -38.32 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.3 t -72.52 -4.99 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.0 -48.58 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -53.32 -38.73 63.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.705 HG12 HD12 ' A' ' 47' ' ' LEU . 35.0 t -66.76 -44.65 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -48.5 -28.32 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -68.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.625 ' CB ' HD11 ' A' ' 21' ' ' ILE . 15.1 mm-40 -38.91 -35.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.705 HD12 HG12 ' A' ' 43' ' ' VAL . 44.4 mt -69.37 -60.35 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 4.9 pt-20 -55.5 -23.56 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.68 -57.0 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -58.2 -27.43 63.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -56.97 -40.34 76.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.43 -30.65 69.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -61.63 -59.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.799 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.0 mt -45.11 -35.92 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.645 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.0 -61.46 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 64.7 mm-40 -58.96 -41.96 88.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.576 ' HE3' HD23 ' A' ' 54' ' ' LEU . 17.3 mtm -58.09 -47.89 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.06 -43.34 62.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 55' ' ' GLU . 9.3 mp -64.56 -12.15 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.9 mm-40 -101.38 -58.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.12 -27.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -35.83 79.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.69 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.4 mt -59.57 141.5 88.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.99 164.92 32.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -108.43 -11.62 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 -2.43 9.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.57 45.34 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -87.65 123.49 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER 78.98 -54.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.85 -31.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' MET . 8.1 t -75.68 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -51.53 -37.31 48.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.552 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -61.89 -53.09 60.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -54.77 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -52.72 -20.32 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.7 -60.59 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 12.0 m-85 -39.3 -56.41 1.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HG2' HD13 ' A' ' 54' ' ' LEU . 8.1 mttm -53.93 -51.52 63.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -48.81 -57.66 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -58.4 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.43 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.74 -46.96 4.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' THR . 4.0 mttt -61.86 -48.15 81.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.694 HD23 HD12 ' A' ' 25' ' ' ILE . 1.4 mt -47.51 -33.75 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.9 -38.02 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.4 m -73.43 -67.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -40.78 -45.2 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -55.38 -44.5 76.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -81.54 -17.73 47.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' THR . 5.2 mtt180 -94.72 0.01 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ASP . 15.4 p -103.93 -35.61 8.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -71.7 -15.84 62.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 91' ' ' LYS . 4.0 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' GLU . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.419 0.152 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 6.5 mt-10 -38.79 -52.11 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -47.65 -67.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -62.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.729 ' CE1' HG21 ' A' ' 18' ' ' THR . 38.5 t80 -49.83 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.81 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.68 -36.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.8 mt -71.66 -64.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.729 HG21 ' CE1' ' A' ' 14' ' ' PHE . 28.2 p -38.43 -47.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.44 -52.09 64.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.42 -36.82 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 mt -71.13 -60.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -40.7 -42.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 m -60.09 -58.28 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -54.14 -37.1 64.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.722 HD12 HD23 ' A' ' 86' ' ' LEU . 57.1 mt -60.93 -23.58 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.45 -20.2 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -97.23 -8.55 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' OG ' ' A' ' 93' ' ' SER . 0.9 OUTLIER -65.73 -50.13 56.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.11 8.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.21 -31.81 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 17.5 mt -67.21 158.66 80.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.95 174.14 13.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 3.21 5.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -96.61 -48.2 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 71.2 tttt -54.75 -58.58 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.75 -55.18 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -66.48 -47.14 74.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.6 tpp -53.43 -53.51 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 37.7 t -53.49 -21.68 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.36 -40.86 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -55.43 -35.98 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.762 HG12 HD12 ' A' ' 47' ' ' LEU . 5.7 t -72.72 -38.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 1.7 mt-10 -54.12 -29.01 43.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -68.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 62.8 mm-40 -42.81 -32.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 43' ' ' VAL . 27.6 mt -70.53 -52.26 23.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.2 -27.28 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.01 -57.02 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -59.55 -38.18 80.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -41.33 -40.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLU . 1.9 tt0 -65.88 -46.13 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -45.53 -57.27 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.4 mt -51.66 -33.1 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.31 -51.15 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -66.09 -45.67 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.495 ' HE2' HD23 ' A' ' 54' ' ' LEU . 30.7 mtm -58.61 -38.38 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.24 -35.32 48.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -74.24 -4.06 33.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.49 -44.1 3.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 72' ' ' TYR . 1.4 t -56.3 -18.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -51.54 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.76 -36.67 84.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -47.04 142.82 4.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 164.93 32.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.442 1.759 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.37 7.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -95.87 -40.55 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.13 -43.18 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.78 -30.36 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.34 -35.69 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.59 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -42.38 -46.78 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.3 m -52.08 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.1 t-20 -39.9 -44.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 4.8 mmt180 -69.56 -56.06 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.85 -54.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -48.73 41.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 22.9 m-85 -41.58 -64.19 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -43.83 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -59.31 -58.03 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.93 -56.71 17.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -64.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.3 -38.47 19.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -43.37 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 25' ' ' ILE . 3.8 mt -51.79 -27.39 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -42.35 59.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -75.37 -60.85 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.28 -32.06 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 1.7 t80 -70.14 -46.61 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.791 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.3 pttp -68.55 -24.53 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -3.36 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.556 ' OG ' HG11 ' A' ' 28' ' ' VAL . 5.7 p -102.33 -39.83 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -71.22 -12.79 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 91' ' ' LYS . 17.5 pt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ASP . 18.0 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.442 0.163 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' CD ' ' CZ ' ' A' ' 72' ' ' TYR . 1.5 mp0 -37.85 -53.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -43.76 -44.87 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -74.36 -39.72 62.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 53.0 t80 -59.17 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -51.44 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.11 -33.65 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.25 -67.97 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -41.81 -54.1 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.71 -42.8 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.656 HG22 HD22 ' A' ' 86' ' ' LEU . 91.9 mt -61.47 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.76 -44.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.0 m -59.89 -57.69 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -53.46 -40.1 65.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.807 HD12 HD23 ' A' ' 86' ' ' LEU . 65.6 mt -60.21 -33.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.63 -13.0 58.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -98.64 -20.59 16.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.02 -51.91 66.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 1.48 7.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -123.48 8.65 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.6 mt -108.54 160.21 28.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.04 168.74 24.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -35.64 9.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -99.46 -26.35 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 35.2 tttt -62.25 -57.9 9.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.6 -57.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' ASN . 82.0 mm-40 -61.36 -45.91 92.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.7 tpp -56.47 -46.6 80.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.8 t -62.69 -13.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -101.79 -35.67 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.4 t-20 -63.93 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 47' ' ' LEU . 15.1 t -66.38 -36.43 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.1 mt-10 -54.45 -39.61 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -55.79 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.513 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.9 mp0 -54.8 -26.62 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.5 mt -73.43 -60.63 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.1 -27.33 61.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.48 -34.9 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.9 -29.63 50.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -58.02 -55.76 30.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.62 -28.82 66.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD22 ' SD ' ' A' ' 57' ' ' MET . 2.2 mt -57.87 -64.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 88.9 mt -43.01 -37.71 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.881 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.29 -43.33 67.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.3 mm-40 -77.71 -55.42 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.805 ' SD ' HD22 ' A' ' 53' ' ' LEU . 3.0 mpp? -49.36 -35.38 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' HE3' ' A' ' 76' ' ' MET . 5.6 t0 -81.72 -36.23 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 55' ' ' GLU . 4.3 mt -75.59 -2.14 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -111.4 -57.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.6 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.58 -26.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -47.39 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -17.11 61.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.734 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.2 mt -67.64 142.45 96.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.98 165.21 31.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 1.04 8.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.38 -21.26 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' GLY . 40.2 t -108.98 -39.45 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' SER . 3.5 ttt180 -37.31 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -37.7 134.18 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 80.61 -52.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -56.78 -45.41 82.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -58.05 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.63 -38.21 9.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 2.4 mmt180 -69.28 -59.98 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.46 ' HE3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -39.55 -34.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -61.62 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 0.0 110.359 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.43 -47.14 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 13.9 m-30 -45.26 -69.63 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -39.51 -50.1 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -58.66 -47.5 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -65.39 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.54 ' HG3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.55 -61.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.86 -48.24 45.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.39 -41.35 98.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.807 HD23 HD12 ' A' ' 25' ' ' ILE . 2.2 mt -52.01 -31.8 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -38.79 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -79.9 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -46.63 -38.58 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -58.07 -46.14 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.718 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -75.87 -31.28 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.401 ' HA ' HG12 ' A' ' 95' ' ' ILE . 3.5 mtt180 -78.67 3.35 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.6 p -110.26 -36.18 5.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -75.33 -20.81 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 6.4 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.532 0.206 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' TYR . 4.8 mp0 -38.96 -49.95 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.97 -64.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.43 -54.2 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CE1' HD21 ' A' ' 54' ' ' LEU . 70.6 t80 -52.16 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.89 -37.66 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -72.27 -44.61 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' A' ' 50' ' ' ALA . 12.0 mt -47.73 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 22' ' ' THR . 32.1 p -35.37 -68.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' THR . . . -40.2 -50.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.83 -52.84 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.677 ' CG2' HG13 ' A' ' 43' ' ' VAL . 33.2 mt -57.24 -65.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -35.86 -42.35 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ALA . 27.1 m -61.65 -62.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 12.2 mttt -51.6 -27.88 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 89' ' ' ASP . 50.3 mt -70.28 -31.32 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.47 -21.13 53.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.98 -17.13 26.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.03 -51.4 68.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 -14.64 20.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.463 1.77 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -102.89 6.97 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ARG . 26.8 mt -107.18 159.98 28.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.06 170.67 19.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.34 7.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -43.41 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.78 -29.95 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 6.9 tttm -59.73 -56.06 26.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -50.21 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -70.69 -43.81 68.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.406 ' SD ' ' HB3' ' A' ' 24' ' ' LYS . 31.0 tpp -56.54 -53.99 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 90' ' ' PHE . 37.9 t -53.52 -21.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 -35.92 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.23 -42.72 86.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 21' ' ' ILE . 24.2 t -66.03 -36.19 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -59.44 -27.92 66.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -81.09 -58.65 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.49 -30.01 38.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 86' ' ' LEU . 15.0 mt -68.07 -62.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 8.3 pt-20 -54.8 -32.06 59.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.8 mm-40 -66.14 -28.54 68.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -85.9 -29.99 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -39.11 64.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.94 -37.21 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -51.83 -65.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.679 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.5 mt -42.64 -35.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -70.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.5 mm-40 -48.98 -42.51 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 12.7 mtm -58.05 -47.65 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.73 -47.61 52.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.89 -14.15 31.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.6 mm-40 -97.61 -52.9 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -44.64 -28.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -34.09 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -21.87 42.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.737 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.7 mt -69.89 142.54 90.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 166.39 29.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -102.83 -19.0 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.401 ' HB3' HG23 ' A' ' 64' ' ' ILE . 1.4 t -116.51 10.83 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -30.1 12.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.07 -40.7 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -59.76 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -48.27 -55.22 11.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -54.58 14.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -49.54 -45.18 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -68.24 -47.31 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.473 ' HE3' ' HB3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -42.64 -53.45 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -32.73 72.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -67.36 -55.05 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 20.6 m-85 -49.53 -49.45 45.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HG3' HD13 ' A' ' 54' ' ' LEU . 34.1 mttt -55.86 -39.02 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -65.86 -42.13 90.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.78 -51.13 44.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 4.7 mmm -58.03 -65.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.32 -30.29 2.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -68.52 -43.68 76.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.608 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -51.13 -35.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.9 -19.22 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 85' ' ' LYS . 1.8 m -94.87 -59.0 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 2.8 m-20 -54.4 -24.62 20.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 8.8 t80 -78.5 -37.64 42.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 95' ' ' ILE . 2.1 tttp -85.19 -13.5 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -99.07 3.39 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.416 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -116.06 -38.4 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -76.53 0.16 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 91' ' ' LYS . 13.0 pt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' GLU . 35.7 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.473 0.178 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.6 mp0 -38.75 -50.37 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -50.55 -56.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.52 -59.46 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.684 ' CE2' HG21 ' A' ' 18' ' ' THR . 90.4 t80 -51.54 -53.22 40.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.88 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.64 -52.39 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.506 HD23 ' OE1' ' A' ' 46' ' ' GLN . 12.5 mt -50.83 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.684 HG21 ' CE2' ' A' ' 14' ' ' PHE . 24.4 p -42.77 -59.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.69 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -46.58 -51.05 16.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.764 HD11 ' HB3' ' A' ' 46' ' ' GLN . 58.7 mt -57.36 -60.86 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.49 -45.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ALA . 20.7 m -59.71 -62.07 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -50.16 -34.66 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.357 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 HD23 ' A' ' 86' ' ' LEU . 69.6 mt -63.39 -31.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -81.45 -17.95 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -92.97 -18.29 22.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.3 -52.2 68.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -121.91 14.8 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.96 156.76 47.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.77 15.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.62 8.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -98.4 -36.76 9.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.85 -28.56 13.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 16.4 tttm -57.77 -57.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -59.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.58 -42.4 83.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 35.2 tpp -62.16 -38.55 89.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 40' ' ' VAL . 73.5 t -73.95 -4.26 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.08 -37.35 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.603 HG13 HG23 ' A' ' 21' ' ' ILE . 18.8 t -66.25 -34.33 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 34.7 mm-40 -55.71 -33.27 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.71 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.764 ' HB3' HD11 ' A' ' 21' ' ' ILE . 15.4 mm-40 -50.32 -31.64 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD12 HG12 ' A' ' 43' ' ' VAL . 18.8 mt -71.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 51' ' ' ARG . 8.4 pt-20 -56.03 -36.25 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.42 -25.0 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.58 -32.68 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.439 ' CD ' ' HA ' ' A' ' 48' ' ' GLU . 1.6 mtt180 -48.6 -41.13 29.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 9.4 pt-20 -65.36 -41.62 93.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -50.8 -54.84 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.6 mt -54.31 -31.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.504 ' CD ' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -71.56 -53.95 12.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 41.3 mm-40 -64.24 -43.29 95.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.9 mtm -60.89 -40.49 93.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.06 -42.77 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.51 HD23 HH21 ' A' ' 62' ' ' ARG . 13.0 mt -65.69 -10.33 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 mm-40 -100.64 -51.58 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.586 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -49.61 -23.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.51 HH21 HD23 ' A' ' 59' ' ' LEU . 16.5 mtm180 -61.6 -52.6 63.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -63.24 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.715 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.7 mt -55.86 142.07 64.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 165.13 31.97 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.525 1.802 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 -17.1 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -114.32 -11.7 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 4.0 ttp180 -70.8 -19.83 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -38.92 144.46 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.1 -60.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.83 -41.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -68.39 -50.96 49.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.07 -24.78 64.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.9 mtm180 -84.07 -33.15 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.92 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -50.49 -30.4 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLN . 10.1 t -76.98 -63.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 21.2 m-85 -38.5 -37.5 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -48.48 41.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -50.55 -33.96 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -82.44 -53.97 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -63.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.84 64.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.64 -41.75 95.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD23 HD12 ' A' ' 25' ' ' ILE . 1.3 mt -54.13 -38.38 65.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -23.89 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -87.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.82 -36.45 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 2.8 t80 -64.53 -44.85 89.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.875 ' HA ' HD12 ' A' ' 95' ' ' ILE . 6.3 mtp180 -72.5 -32.07 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.229 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -65.24 -42.8 92.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -76.05 -13.23 60.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 92' ' ' ARG . 15.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.482 0.182 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.75 -57.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -39.76 -54.03 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.16 -58.7 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.846 ' CE2' HD21 ' A' ' 54' ' ' LEU . 59.7 t80 -49.56 -57.6 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.28 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.0 t -54.59 -47.57 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 50' ' ' ALA . 14.7 mt -53.29 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.636 HG21 ' CE1' ' A' ' 14' ' ' PHE . 35.4 p -39.15 -70.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.0 -53.41 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.57 -51.24 67.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.651 HG22 ' CD1' ' A' ' 25' ' ' ILE . 54.2 mt -57.73 -63.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -37.62 -41.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.0 m -62.17 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -47.19 -33.19 5.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.651 ' CD1' HG22 ' A' ' 21' ' ' ILE . 79.1 mt -67.5 -39.41 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -76.93 -10.61 59.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.23 -20.36 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.755 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -50.74 -50.49 73.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 2.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -129.87 34.96 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.527 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 52.2 mt -139.09 156.18 72.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 174.06 13.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 2.35 6.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 30.0 m-20 -100.55 -45.99 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.45 -35.81 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 22.6 tttt -52.44 -55.7 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.7 tptt -40.25 -60.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 5.3 mp0 -52.9 -53.11 53.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.755 ' HG2' HG23 ' A' ' 28' ' ' VAL . 1.9 ttm -54.8 -39.41 68.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 24.0 t -72.39 -5.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.75 -47.76 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -55.03 -39.29 68.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.666 HG12 HD12 ' A' ' 47' ' ' LEU . 35.5 t -65.83 -42.56 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -51.68 -28.39 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -85.6 -67.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.508 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.4 mp0 -38.81 -38.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 43' ' ' VAL . 48.2 mt -67.78 -57.03 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.22 -21.53 59.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 57.1 mm-40 -78.92 -57.41 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -59.17 -16.73 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.29 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 pt-20 -50.98 -30.01 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -61.38 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.846 HD21 ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -45.59 -35.56 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.72 -64.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -55.43 -44.36 76.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.626 ' HE2' HD23 ' A' ' 54' ' ' LEU . 22.0 mtm -57.31 -43.32 83.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.33 -46.28 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 55' ' ' GLU . 10.3 mp -60.98 -14.84 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -98.87 -49.15 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.659 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.93 -22.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -64.87 -53.0 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.53 -38.71 81.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -41.41 142.34 0.99 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 161.74 38.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.53 8.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -95.0 -30.59 14.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' GLY . 21.7 t -97.39 -36.84 10.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 5.1 mtp180 -57.4 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -129.57 -69.24 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' TYR . 10.6 mmt -72.53 -52.41 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.2 -48.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -54.44 -62.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.49 -47.57 57.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 13.1 mtm-85 -59.26 -50.07 75.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -48.81 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -58.76 -24.12 61.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -86.95 -62.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 10.6 m-85 -37.34 -58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -47.99 -59.32 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -43.17 -63.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.95 -59.21 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -67.0 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.31 -35.43 43.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -41.08 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 1.3 mt -55.09 -35.71 64.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.08 -19.57 66.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.416 HG22 ' HD3' ' A' ' 92' ' ' ARG . 1.6 m -93.2 -69.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.92 -31.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -63.21 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 4.2 ptmt -68.92 -38.74 79.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.715 ' HA ' HD12 ' A' ' 95' ' ' ILE . 19.5 mtp85 -66.13 -47.65 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.44 ' OG ' ' CG2' ' A' ' 25' ' ' ILE . 2.5 m -44.44 -41.97 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.449 ' HD2' ' CG2' ' A' ' 40' ' ' VAL . 5.8 mtm105 -73.33 -35.37 66.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 92' ' ' ARG . 73.3 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 12.0 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.507 0.194 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 1.1 mp0 -40.22 -48.68 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -47.28 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -46.76 -59.21 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.715 ' CE1' HG21 ' A' ' 18' ' ' THR . 37.4 t80 -49.55 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.55 -41.38 14.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -67.85 -35.64 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.3 mt -72.0 -62.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.715 HG21 ' CE1' ' A' ' 14' ' ' PHE . 70.7 p -40.48 -48.34 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -65.49 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.85 -27.86 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.583 HG22 ' CD1' ' A' ' 25' ' ' ILE . 62.4 mt -80.21 -63.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -38.17 -45.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 m -56.56 -57.73 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -54.81 -39.31 68.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.644 ' CD1' HD23 ' A' ' 86' ' ' LEU . 64.2 mt -60.22 -26.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.31 -15.88 32.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.53 -19.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.34 -50.93 80.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.22 7.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -121.98 3.24 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.5 mt -103.28 161.02 24.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 169.71 22.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.13 6.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 64.6 m-20 -97.56 -44.41 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.45 -32.76 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.8 tttt -53.41 -61.15 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -38.84 -56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 3.6 mp0 -63.38 -46.28 87.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -56.29 -45.72 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.3 t -64.68 -12.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.54 -37.56 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -62.07 -38.48 88.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 47' ' ' LEU . 24.2 t -68.38 -34.35 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mt-10 -58.71 -44.22 90.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.41 -52.98 21.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.456 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 51.0 mm-40 -59.15 -26.86 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 43' ' ' VAL . 12.0 mt -70.99 -57.23 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.2 pt-20 -60.07 -32.76 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 2.1 mm-40 -63.43 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -22.62 29.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -51.81 67.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.63 -37.52 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.79 -58.82 4.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.551 HD23 ' HE2' ' A' ' 57' ' ' MET . 3.8 mt -51.97 -32.09 31.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.725 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -72.14 -46.99 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -69.89 -50.42 42.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.551 ' HE2' HD23 ' A' ' 54' ' ' LEU . 35.2 mtm -52.66 -42.09 64.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.11 -36.3 66.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -72.48 -7.53 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 62' ' ' ARG . 2.1 mm-40 -107.08 -50.64 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.37 -25.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -62.07 -39.32 92.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.68 -39.34 77.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -45.07 142.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 159.62 41.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 59.79 5.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -167.58 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -81.17 -23.12 38.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NE ' HG13 ' A' ' 61' ' ' VAL . 6.8 mtp180 -54.86 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 41.35 -98.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' ASN . 20.9 mmt -52.17 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.69 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.26 -52.2 66.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 71' ' ' MET . 14.3 t30 -72.18 -63.25 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 5.5 mtp85 -39.19 -34.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -60.98 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.47 -30.26 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -75.68 -54.53 6.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 8.8 m-85 -47.55 -32.18 5.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HG2' HD13 ' A' ' 54' ' ' LEU . 34.5 mttt -77.01 -32.23 56.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -59.15 -36.15 74.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 16.1 tp10 -84.48 -51.49 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.409 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.87 -60.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.09 -43.0 62.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -41.7 96.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.644 HD23 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -52.28 -32.68 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.88 68.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -82.9 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.83 -32.84 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.552 ' HA ' HG23 ' A' ' 25' ' ' ILE . 5.0 t80 -69.0 -46.47 67.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -86.41 4.22 40.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.2 p -111.8 -32.74 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -85.65 3.3 41.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 91' ' ' LYS . 28.6 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.5 0.191 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -41.38 -55.95 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -42.99 -64.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -56.73 5.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 87.4 t80 -52.06 -61.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.29 -38.82 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -69.85 -37.96 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' PHE . 7.5 mt -63.35 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -42.55 -26.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 17' ' ' LEU . . . -86.47 -58.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.12 -24.14 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.591 HG23 HG13 ' A' ' 43' ' ' VAL . 31.8 mt -81.12 -67.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 18' ' ' THR . 1.0 OUTLIER -35.97 -44.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -57.99 -56.83 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -58.06 -28.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' ' 89' ' ' ASP . 53.5 mt -71.16 -31.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -18.77 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 11.9 mtt180 -92.36 -17.05 25.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.94 -52.1 68.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.95 0.76 8.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -122.73 7.98 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.83 155.06 41.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 170.99 19.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.39 6.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.541 1.811 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.19 -42.17 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -94.53 -32.53 13.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.1 tttm -56.03 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -40.31 -52.89 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -68.39 -44.44 75.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 31.2 tpp -55.5 -56.02 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG13 ' CE1' ' A' ' 90' ' ' PHE . 42.4 t -51.68 -22.07 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.43 -34.88 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.18 -41.24 88.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.665 HG12 HD12 ' A' ' 47' ' ' LEU . 33.9 t -67.87 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.04 -31.01 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -58.34 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.86 -28.29 49.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.665 HD12 HG12 ' A' ' 43' ' ' VAL . 13.7 mt -70.33 -61.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.9 pt-20 -55.87 -32.04 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.9 mm-40 -65.23 -30.61 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.8 -26.28 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -55.45 -41.97 73.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.47 -37.4 85.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -62.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 80' ' ' LYS . 1.3 mt -47.8 -33.75 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 mt-10 -70.45 -53.0 18.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -63.34 -47.74 80.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.3 mtm -54.99 -44.23 74.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.28 -34.12 65.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -74.53 -7.19 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.8 mm-40 -106.57 -51.13 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.715 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.06 -25.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.89 -34.43 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.86 -23.77 38.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.748 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -62.59 142.54 96.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 164.64 32.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.62 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.75 -14.0 18.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -123.13 6.73 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.63 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.48 -63.62 1.69 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -76.96 -59.7 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.715 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -35.2 -35.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.064 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -69.91 -63.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.91 -39.82 78.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.27 -47.25 86.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -34.63 38.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -13.81 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.28 -54.36 3.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.8 m-85 -44.19 -46.05 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.674 ' HG3' HD13 ' A' ' 54' ' ' LEU . 12.5 mttm -60.76 -39.5 88.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -65.77 -49.62 67.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.47 ' CG ' ' HB ' ' A' ' 18' ' ' THR . 3.5 tp10 -57.95 -50.77 72.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 1.2 mmm -60.93 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 -33.07 1.76 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.86 -43.83 82.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.609 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -51.5 -36.32 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.95 -24.93 66.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -89.35 -62.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.435 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -48.97 -31.95 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CE1' HG13 ' A' ' 40' ' ' VAL . 4.8 t80 -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 95' ' ' ILE . 16.4 tttt -81.61 -32.2 32.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -81.13 5.56 16.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.442 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -111.54 -44.36 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -73.28 -3.45 27.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 91' ' ' LYS . 31.9 pt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.45 89.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.01 151.08 21.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 109.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.89 165.02 26.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -162.62 127.53 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.59 94.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.04 117.34 1.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -97.46 161.82 13.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.71 144.43 5.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -126.17 -63.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -40.73 -56.77 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.9 -65.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.82 -67.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.861 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.9 t80 -41.51 -57.54 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.69 -52.53 8.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.7 -45.96 82.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.16 -68.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.861 HG21 ' CE1' ' A' ' 14' ' ' PHE . 25.6 p -38.87 -48.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.58 -66.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -34.99 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.718 HD11 ' HB3' ' A' ' 46' ' ' GLN . 94.5 mt -70.74 -63.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -39.55 -49.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 22' ' ' THR . 14.0 m -56.29 -55.02 38.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -56.14 -35.59 67.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.671 HD12 HD23 ' A' ' 86' ' ' LEU . 63.8 mt -63.73 -34.7 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.44 59.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -20.35 18.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.79 -50.82 75.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 1.31 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -125.21 17.07 8.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.19 157.17 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.02 169.33 22.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.76 -32.04 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.05 -22.18 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 41.2 tttt -67.73 -58.48 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.48 -54.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' ASN . 31.8 mm-40 -66.19 -46.68 76.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 36.0 tpp -54.48 -50.59 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 t -56.27 -20.08 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 -39.04 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.3 t30 -57.92 -33.29 68.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 47' ' ' LEU . 20.8 t -75.93 -31.45 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -60.24 2.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HB3' HD11 ' A' ' 21' ' ' ILE . 2.1 mp0 -51.43 -28.06 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.53 HD12 HG12 ' A' ' 43' ' ' VAL . 15.9 mt -71.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.7 pt-20 -54.3 -33.9 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.2 mt-10 -64.9 -27.64 68.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.21 -25.23 18.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -57.74 -44.0 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.66 -35.33 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -61.48 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.626 HD21 ' CE2' ' A' ' 14' ' ' PHE . 2.3 mt -47.21 -31.9 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 59' ' ' LEU . 6.5 mt-10 -73.87 -46.54 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -68.88 -44.54 73.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.463 ' HE2' HD23 ' A' ' 54' ' ' LEU . 29.5 mtm -60.25 -41.1 92.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -76.24 -35.62 58.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 55' ' ' GLU . 23.9 mt -74.74 -3.51 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.7 mm-40 -110.87 -51.83 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.48 -24.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 60' ' ' GLU . 12.5 mtt180 -61.78 -52.45 64.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.27 -32.14 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -50.01 142.18 13.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 164.57 33.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.4 7.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -100.64 -16.76 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLY . 6.7 t -114.08 -38.03 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -39.37 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -36.93 145.91 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.29 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.534 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -42.88 -43.18 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -64.83 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -43.89 -36.3 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 10.5 mtt-85 -73.99 -52.45 12.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -39.73 -44.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -45.3 85.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -58.64 -60.97 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.3 m-85 -42.28 -63.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -56.48 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -46.39 -56.66 5.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.37 -59.21 5.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -67.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.6 -41.65 18.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -43.31 94.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.671 HD23 HD12 ' A' ' 25' ' ' ILE . 1.4 mt -53.32 -34.53 57.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.79 -15.63 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -98.93 -62.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -26.2 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -68.8 -44.97 72.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.3 pttt -78.47 -26.13 46.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -81.21 4.17 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.77 -37.78 4.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -76.6 -12.2 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 91' ' ' LYS . 23.6 pt -87.42 6.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -87.31 122.92 31.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.16 58.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.86 -132.79 8.81 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -45.77 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t 47.72 87.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.5 m -84.83 152.31 23.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 p -141.69 168.95 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.5 160.33 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.77 -123.54 3.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -113.92 166.0 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 0.719 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -89.55 -71.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.93 156.41 8.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -101.25 134.92 43.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.99 147.04 4.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -116.97 -52.49 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -39.97 -54.61 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -62.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -47.55 -64.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 18' ' ' THR . 44.6 t80 -47.52 -55.19 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -48.97 27.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.75 -39.67 80.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.38 -69.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.765 HG21 ' CE1' ' A' ' 14' ' ' PHE . 77.2 p -38.57 -50.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.75 -63.52 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.69 -35.26 30.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.684 HG22 ' CD1' ' A' ' 25' ' ' ILE . 38.9 mt -71.57 -66.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -37.98 -42.96 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -61.98 -52.01 65.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 11.0 mttm -60.69 -36.28 78.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.684 ' CD1' HG22 ' A' ' 21' ' ' ILE . 79.7 mt -63.97 -32.52 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.46 -16.18 56.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -93.22 -17.43 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.52 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.99 -51.65 69.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 0.52 8.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -124.33 19.16 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.15 156.35 54.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.06 170.13 21.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -97.77 -38.06 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -99.09 -30.24 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 43.7 tttm -58.05 -59.54 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.56 -55.62 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 2.8 mp0 -65.48 -44.98 85.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -55.59 -49.67 72.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 53.7 t -60.56 -15.74 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 -35.21 10.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLN . 18.7 t30 -62.71 -39.57 94.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.638 HG13 HG23 ' A' ' 21' ' ' ILE . 41.9 t -67.89 -33.6 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mt-10 -59.84 -32.54 70.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -58.07 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -52.64 -28.69 22.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 43' ' ' VAL . 17.4 mt -71.12 -62.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.54 -33.69 64.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.25 -24.85 67.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.26 -28.4 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -55.81 -47.84 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -58.62 -39.08 79.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -61.25 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.702 HD13 ' HG2' ' A' ' 80' ' ' LYS . 1.9 mt -44.51 -36.43 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.566 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -64.72 -61.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 37.0 mm-40 -55.22 -47.48 75.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 mtm -56.48 -47.73 78.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 80' ' ' LYS . 38.5 t0 -69.54 -46.49 66.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 55' ' ' GLU . 11.0 mp -66.51 -10.04 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.3 mm-40 -102.19 -45.47 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.734 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -51.17 -22.54 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -66.74 -38.68 87.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -21.2 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.632 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.0 mt -69.31 140.63 90.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.632 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.02 161.91 37.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.29 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB3' HG23 ' A' ' 64' ' ' ILE . 6.1 t -81.74 -19.45 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 14.2 mtp180 -61.61 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.21 -102.95 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -60.34 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.734 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.13 -37.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -67.57 -60.72 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -58.72 -48.8 79.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -50.5 -47.29 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -44.91 68.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -22.23 64.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -86.94 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 19.0 m-85 -38.73 -58.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.702 ' HG2' HD13 ' A' ' 54' ' ' LEU . 7.1 mttt -50.69 -57.57 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.27 -57.81 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.57 -56.18 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.91 -71.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.82 -36.57 2.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -67.41 -45.79 75.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -50.31 -34.88 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.77 -26.68 67.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.433 HG22 ' HD3' ' A' ' 92' ' ' ARG . 1.3 m -87.37 -62.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.456 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -36.89 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.1 t80 -60.32 -46.39 90.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 1.2 tttt -67.8 -40.43 83.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.721 ' HA ' HD12 ' A' ' 95' ' ' ILE . 19.5 mtp85 -67.26 -37.87 84.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.45 ' OG ' HG22 ' A' ' 25' ' ' ILE . 3.2 m -58.72 -43.93 90.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -76.89 -13.52 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 92' ' ' ARG . 20.5 mt -78.13 -47.49 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 29' ' ' PRO . . . -40.7 -62.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.32 91.7 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.84 -176.86 46.19 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.57 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.0 p -75.11 160.03 30.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.8 p -166.41 159.99 15.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -136.89 145.16 44.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -158.66 159.94 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.53 -175.67 14.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.22 154.3 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 110.043 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.36 -60.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.13 82.58 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -105.96 -17.76 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.24 157.53 10.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 15.3 m-85 -135.89 -67.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 2.3 mp0 -38.27 -49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -44.63 -65.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.01 -58.0 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 54' ' ' LEU . 58.5 t80 -45.53 -63.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -50.37 8.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -44.8 86.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 12.9 mt -56.55 -73.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.6 p -37.94 -42.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.14 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.11 -29.44 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.685 HG23 HG13 ' A' ' 43' ' ' VAL . 62.2 mt -74.94 -62.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.05 -43.0 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 m -65.2 -60.27 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -51.52 -32.61 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.612 HD12 HD23 ' A' ' 86' ' ' LEU . 61.8 mt -66.78 -31.46 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -8.14 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -99.76 -18.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -54.51 -51.58 77.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.846 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 18.5 Cg_endo -74.99 0.71 8.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -120.13 2.64 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' ARG . 30.3 mt -103.89 159.21 30.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.68 6.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 -49.4 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -85.47 -31.45 22.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 8.9 tttm -55.57 -58.89 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.42 -53.13 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ASN . 77.2 mm-40 -68.5 -47.16 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.4 tpp -52.98 -57.25 10.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.8 t -49.9 -23.18 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.28 -34.26 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.3 t30 -59.17 -43.61 92.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.685 HG13 HG23 ' A' ' 21' ' ' ILE . 25.4 t -65.4 -34.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 1.2 mt-10 -61.54 -20.53 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -88.06 -62.3 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.477 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.6 mp0 -51.21 -29.62 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.643 HD12 HG12 ' A' ' 43' ' ' VAL . 16.4 mt -70.24 -64.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.3 pt-20 -53.67 -33.66 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.54 -30.0 70.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -27.7 27.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.36 -32.17 71.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -58.37 -60.94 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.6 mt -43.9 -36.84 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 2.4 mt-30 -48.91 -45.26 41.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.563 ' HE2' HD23 ' A' ' 54' ' ' LEU . 14.3 mtm -53.66 -44.67 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.9 -42.06 28.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.67 -8.88 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.7 mm-40 -101.7 -53.93 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -43.33 -27.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -55.53 -41.95 73.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 60' ' ' GLU . 24.4 mt-10 -65.7 -44.13 87.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.704 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.6 mt -41.43 142.19 1.01 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.92 159.14 41.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.26 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.5 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 t -79.26 -27.79 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -49.43 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.8 -96.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.8 OUTLIER -54.95 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.645 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.29 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' MET . 4.2 t -71.71 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.79 -48.73 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 1.9 mmt180 -52.79 -53.0 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -41.85 -52.6 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.57 71.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -62.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 8.0 m-85 -37.6 -62.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.533 ' HG3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -45.79 -57.49 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -49.57 -47.43 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.72 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.6 mmm -44.91 -61.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.72 -34.03 9.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -73.71 -37.26 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.612 HD23 HD12 ' A' ' 25' ' ' ILE . 1.7 mt -58.27 -23.13 55.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -38.11 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -78.66 -67.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -35.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -62.56 -48.08 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.888 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.78 -19.54 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -86.48 1.81 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 p -109.46 -31.14 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -78.63 -18.9 53.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 91' ' ' LYS . 2.3 pt -79.33 -15.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 29' ' ' PRO . . . -74.55 131.63 41.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 p -174.5 -50.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.27 -147.22 4.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 102.15 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.7 t -104.14 155.02 19.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 m -67.83 132.33 47.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m 42.46 90.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.5 84.52 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.45 65.95 2.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.31 126.95 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -102.64 111.11 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.87 -92.73 0.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.52 159.05 30.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.57 117.19 3.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -117.27 -61.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.04 -54.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -44.64 -61.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.814 ' CE2' HD21 ' A' ' 54' ' ' LEU . 48.7 t80 -46.97 -50.87 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -54.83 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.64 -52.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.568 HD23 ' NE2' ' A' ' 46' ' ' GLN . 12.8 mt -50.63 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.763 HG21 ' CE1' ' A' ' 14' ' ' PHE . 20.3 p -40.4 -62.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.53 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.09 -48.84 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.864 HG23 HG13 ' A' ' 43' ' ' VAL . 99.0 mt -62.2 -58.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -37.65 -45.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.2 m -65.47 -56.46 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.37 -33.06 41.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 HD23 ' A' ' 86' ' ' LEU . 26.4 mt -65.7 -33.71 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.49 -15.67 58.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 mtt85 -93.03 -28.42 16.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -42.84 -50.94 12.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -23.36 13.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' ARG . 85.9 mtt180 -101.86 26.69 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.3 mt -123.9 159.19 57.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.1 Cg_endo -75.01 167.39 27.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.818 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -44.14 6.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.1 -29.98 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 30.1 tttt -56.25 -60.1 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.69 -53.26 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 42' ' ' ASN . 32.2 mm-40 -67.15 -44.15 80.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -57.24 -48.69 78.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 49.1 t -59.69 -16.3 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.39 -37.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLN . 17.9 t30 -60.74 -38.38 84.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.864 HG13 HG23 ' A' ' 21' ' ' ILE . 40.8 t -68.98 -34.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.3 mt-10 -58.61 -31.6 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.784 ' HB3' HD11 ' A' ' 21' ' ' ILE . 7.4 mm100 -53.89 -32.14 52.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 86' ' ' LEU . 16.8 mt -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 6.7 pt-20 -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.6 mm-40 -66.47 -26.54 67.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.37 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.68 -45.92 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 15.7 pt-20 -62.89 -35.64 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -54.01 -59.25 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.814 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.7 mt -48.72 -34.03 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -54.73 21.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.91 -43.39 96.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.586 ' HE2' HD23 ' A' ' 54' ' ' LEU . 20.2 mtm -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.36 -8.13 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.0 mm-40 -106.48 -54.46 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -46.66 -26.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -58.95 -54.41 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -39.44 93.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.8 mt -44.28 141.7 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.03 164.86 32.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 2.24 6.81 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.767 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -101.47 -16.43 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 70' ' ' GLY . 35.9 t -115.98 -34.34 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' GLY . 4.5 ttt180 -39.64 -28.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -35.16 151.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 2.1 mmt 64.14 -66.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.627 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.74 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -62.3 -51.8 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.33 -41.4 79.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 75.7 mtt-85 -71.2 -40.31 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -44.34 29.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -72.62 -59.17 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -42.43 -44.51 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 4.3 m-85 -55.67 -62.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -43.05 -48.98 6.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -44.35 -53.76 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -59.16 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -54.16 -37.27 58.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 25' ' ' ILE . 5.7 mt -54.43 -28.77 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.29 -39.51 74.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -74.47 -65.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.22 -48.85 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.27 -43.77 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.831 ' O ' HG23 ' A' ' 95' ' ' ILE . 16.0 tttt -75.88 -31.05 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -80.9 4.71 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.425 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -111.31 -44.48 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.54 -29.53 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 91' ' ' LYS . 34.3 pt -61.55 -14.97 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -66.38 133.95 51.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.0 p 178.55 78.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.97 144.47 21.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.157 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.7 t -73.74 158.56 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.62 87.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.0 141.65 30.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.792 . . . . 0.0 109.957 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -106.29 120.58 42.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.08 124.97 23.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.94 155.88 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -143.04 159.85 41.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.24 152.44 16.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.44 60.9 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.69 137.91 2.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' GLU . 9.7 m-85 -111.96 -66.54 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 8.2 mt-10 -38.0 -48.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -48.21 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.93 -56.61 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.664 ' CE1' HD21 ' A' ' 54' ' ' LEU . 69.3 t80 -51.46 -62.54 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.46 -52.16 10.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.24 -45.19 84.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 46' ' ' GLN . 11.8 mt -60.12 -64.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.661 HG21 ' CE2' ' A' ' 14' ' ' PHE . 32.0 p -40.89 -57.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 -66.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -43.38 -52.77 5.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.8 HD11 ' CB ' ' A' ' 46' ' ' GLN . 62.4 mt -54.7 -57.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -41.55 -48.96 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' THR . 4.9 m -58.26 -59.24 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 8.1 mttp -52.35 -37.86 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.74 ' CD1' HG22 ' A' ' 21' ' ' ILE . 58.8 mt -62.06 -28.69 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -13.67 44.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -95.28 -17.63 21.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.68 -51.84 72.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -120.59 9.43 10.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 mt -112.68 156.99 41.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 171.99 17.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 2.81 6.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -97.1 -41.69 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -96.78 -26.99 14.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 44.6 tttt -61.1 -50.98 71.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -51.79 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.2 mp0 -70.15 -44.11 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 32.4 tpp -56.37 -53.04 62.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.07 -19.46 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.24 -39.98 9.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.21 -37.25 69.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.78 HG13 HG23 ' A' ' 21' ' ' ILE . 44.7 t -71.68 -34.57 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.5 mm-40 -60.36 -30.21 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -59.38 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.8 ' CB ' HD11 ' A' ' 21' ' ' ILE . 10.0 mm-40 -52.5 -27.52 16.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 43' ' ' VAL . 18.6 mt -75.6 -60.19 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -58.39 -25.63 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.14 -30.41 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.27 -24.84 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -57.84 -40.36 79.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.86 -33.35 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -56.01 -58.81 6.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.664 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.8 mt -49.36 -33.9 14.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -50.96 46.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.66 -43.09 85.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.546 ' HE2' HD23 ' A' ' 54' ' ' LEU . 27.1 mtm -60.73 -40.88 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -74.85 -36.37 62.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.12 -6.91 45.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.91 -47.42 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.22 -24.97 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -61.18 -46.23 91.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.22 -34.51 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.718 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.7 mt -50.42 142.64 14.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 164.35 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -103.5 -24.73 13.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -104.67 -2.21 25.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.12 42.83 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.9 -79.35 0.85 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -64.68 -56.68 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.27 -55.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -48.4 -61.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.88 -47.81 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.1 mtt180 -52.01 -56.47 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mmt -40.4 -56.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -46.82 45.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.42 -66.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 17.4 m-85 -37.45 -60.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.527 ' HG2' HD13 ' A' ' 54' ' ' LEU . 9.6 mttm -46.93 -53.21 12.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -51.49 -60.84 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -60.05 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.07 -71.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.74 -34.75 3.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.84 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' HB3' HD21 ' A' ' 47' ' ' LEU . 2.6 mt -51.39 -31.49 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -33.25 72.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -83.01 -56.52 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -26.77 27.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.535 ' HA ' HG23 ' A' ' 25' ' ' ILE . 1.2 t80 -72.49 -45.52 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -69.66 -38.02 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.491 ' HA ' ' CG1' ' A' ' 95' ' ' ILE . 46.1 mtp180 -74.81 -0.81 19.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.497 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.35 -41.97 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 8.1 ptt85 -75.96 -22.84 55.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 96' ' ' ALA . 2.0 pp -86.03 -44.65 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.736 ' O ' HD12 ' A' ' 95' ' ' ILE . . . 44.88 -169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.72 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ALA . . . 167.39 147.33 5.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -55.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.54 1.81 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.4 m -39.35 114.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m 70.2 -66.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.973 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -178.41 133.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m 66.44 169.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.76 -152.04 6.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -119.02 112.27 19.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -83.62 151.75 25.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.62 106.88 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -92.98 162.56 14.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.345 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.08 160.81 11.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -136.84 -63.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 79' ' ' TYR . 1.5 mp0 -38.82 -52.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.51 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -42.86 -57.68 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.7 t80 -51.94 -58.46 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.69 -51.77 5.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 t -57.12 -46.76 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' CD ' ' A' ' 46' ' ' GLN . 13.3 mt -55.47 -70.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.777 HG21 ' CE1' ' A' ' 14' ' ' PHE . 18.3 p -38.74 -57.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.91 -68.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.93 -50.22 10.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.8 HD11 ' CB ' ' A' ' 46' ' ' GLN . 48.1 mt -56.12 -66.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -39.0 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -66.6 -53.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 10.2 mttt -57.78 -38.11 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.618 HD12 HD23 ' A' ' 86' ' ' LEU . 70.3 mt -61.79 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.07 -15.57 46.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.79 -19.65 20.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.74 -51.31 77.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.94 0.66 8.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -122.79 6.4 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.16 156.76 37.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.55 7.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.95 -45.98 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.62 -32.7 16.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 32.6 tttt -56.01 -58.25 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.48 -53.8 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 42' ' ' ASN . 41.4 mm-40 -67.5 -45.78 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.447 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 34.4 tpp -54.42 -54.82 35.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.0 t -51.29 -22.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.29 -36.46 12.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' GLN . 11.8 t-20 -60.34 -40.04 89.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG13 HG23 ' A' ' 21' ' ' ILE . 42.6 t -68.07 -36.56 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.3 mt-10 -56.51 -34.17 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.84 -57.36 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.8 ' CB ' HD11 ' A' ' 21' ' ' ILE . 12.4 mm-40 -53.39 -29.02 32.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 86' ' ' LEU . 17.2 mt -73.18 -58.4 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.19 -35.82 78.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.77 -29.57 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.26 -26.96 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.31 -39.35 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.46 -31.6 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.236 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -60.0 -61.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.651 HD21 ' CE2' ' A' ' 14' ' ' PHE . 2.7 mt -45.54 -35.51 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.66 ' O ' HD23 ' A' ' 59' ' ' LEU . 28.5 mt-10 -69.11 -62.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.2 -44.44 67.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.406 ' HE3' HD23 ' A' ' 54' ' ' LEU . 25.7 mtm -56.21 -48.11 77.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 -42.99 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 55' ' ' GLU . 4.4 mm? -63.56 -12.28 31.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -102.09 -42.24 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.742 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -48.92 -23.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -50.16 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.9 -39.63 94.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.683 HG23 ' HD2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -49.35 141.5 11.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.683 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.97 166.65 28.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.87 7.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.32 -20.23 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -119.32 17.05 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLY . 6.7 ttt180 -100.45 -35.89 9.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -35.01 -48.19 0.74 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -65.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.742 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -44.19 -55.68 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.43 -53.68 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -55.67 -37.99 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.4 mtt-85 -65.7 -45.67 81.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.496 ' O ' ' CE ' ' A' ' 80' ' ' LYS . 65.1 mmm -62.6 -32.54 73.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -81.34 -23.48 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -50.86 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' OH ' ' CG ' ' A' ' 11' ' ' GLU . 10.4 m-85 -46.06 -54.49 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -47.3 -48.55 25.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -49.06 -55.15 12.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.91 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -63.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.53 -42.61 44.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -43.0 96.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.719 HD22 HG22 ' A' ' 21' ' ' ILE . 4.4 mt -52.13 -31.99 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -35.81 71.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -77.19 -63.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.467 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -43.49 -44.43 5.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.72 -43.5 76.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.773 ' O ' HG23 ' A' ' 95' ' ' ILE . 13.9 tttp -75.74 -32.08 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mtp180 -82.67 3.69 27.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.44 -40.97 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -77.53 0.2 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.773 HG23 ' O ' ' A' ' 91' ' ' LYS . 31.5 pt -96.22 -2.76 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 29' ' ' PRO . . . -83.41 119.26 24.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.64 -51.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.3 -147.17 4.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.45 43.15 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.479 1.778 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 90.9 p -144.11 99.59 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.52 149.25 21.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -163.93 87.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.41 159.71 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.44 130.65 2.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -124.53 125.69 44.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -155.92 147.05 22.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.74 158.61 27.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.33 53.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.32 132.22 2.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.2 m-85 -110.73 -67.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -38.65 -53.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -44.0 -54.79 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -55.96 28.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 90.2 t80 -49.39 -55.92 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -60.28 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -50.33 -34.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 14.6 mt -69.79 -50.44 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -64.15 -11.38 29.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.62 -53.25 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.32 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.921 HG23 HG13 ' A' ' 43' ' ' VAL . 82.7 mt -53.22 -56.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -44.58 -54.72 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.532 ' N ' HG22 ' A' ' 22' ' ' THR . 45.6 m -52.8 -58.46 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 6.1 mttp -54.05 -36.68 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.845 ' CD1' HG22 ' A' ' 21' ' ' ILE . 69.4 mt -64.32 -32.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.41 -10.61 58.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -98.38 -21.82 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.14 -49.78 82.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 1.28 7.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -127.62 21.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.9 mt -122.09 158.95 53.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 169.79 21.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.92 -39.44 8.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -95.66 -28.42 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -60.49 -57.86 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -56.9 1.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -62.85 -49.0 76.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.485 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 39.1 tpp -52.44 -51.36 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.7 t -55.08 -21.17 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.73 -40.6 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.24 -43.61 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.921 HG13 HG23 ' A' ' 21' ' ' ILE . 38.9 t -65.56 -38.81 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mm-40 -58.71 -19.18 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -63.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.642 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.7 mp0 -50.23 -33.28 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 43' ' ' VAL . 18.6 mt -66.35 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.8 pt-20 -51.62 -31.79 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.5 mt-10 -66.88 -31.31 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.3 -27.24 29.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.39 -38.77 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -63.5 -50.56 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -53.4 -35.14 60.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.22 -61.2 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 3.1 mm-40 -62.18 -39.17 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.463 ' HE3' HD23 ' A' ' 54' ' ' LEU . 12.0 mtm -59.71 -50.36 74.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.91 -19.73 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.62 5.4 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.5 mm-40 -116.58 -42.24 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.714 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 2.0 t -47.02 -26.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -61.86 -36.33 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' GLU . 5.2 mm-40 -75.16 -41.11 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.733 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.8 mt -40.16 142.77 0.68 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.2 8.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.66 -30.1 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -94.96 -30.35 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -62.45 -175.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.15 -78.65 0.26 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -49.62 73.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.714 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -39.71 -42.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 t -66.87 -55.29 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -51.76 -23.25 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -90.32 -40.09 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -35.48 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -49.44 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -45.29 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -44.45 -59.2 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -42.25 -46.17 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mmm -49.35 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.98 -33.7 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -72.37 -41.07 66.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.86 -25.11 18.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -40.26 69.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -72.86 -67.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.41 -39.48 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.598 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -59.36 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -70.97 -26.51 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' HA ' HG12 ' A' ' 95' ' ' ILE . 11.3 mtp180 -84.52 -1.49 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.448 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.67 -34.27 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.437 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -76.59 -24.14 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -90.05 46.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 29' ' ' PRO . . . -122.12 86.2 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.5 t -157.95 111.02 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.976 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.78 118.07 1.79 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.46 2.56 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.2 126.98 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.6 p -84.21 113.44 21.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.163 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t 46.05 93.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 p -132.25 167.4 19.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.13 170.36 43.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.78 160.27 5.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 0.728 . . . . 0.0 110.033 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.42 143.66 49.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.79 -108.76 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.69 142.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 0.762 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.84 137.14 9.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -125.69 -61.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 0.721 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.83 -51.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.36 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -42.49 -62.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.831 ' CE1' HG21 ' A' ' 18' ' ' THR . 49.3 t80 -50.26 -56.54 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -54.13 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 7.5 t -56.31 -52.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.19 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.831 HG21 ' CE1' ' A' ' 14' ' ' PHE . 81.0 p -38.95 -37.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -63.34 -67.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -49.44 -34.79 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.673 HG23 HG13 ' A' ' 43' ' ' VAL . 93.7 mt -65.86 -64.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -39.67 -49.46 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' CG2' ' A' ' 22' ' ' THR . 20.2 m -55.06 -58.96 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' VAL . 26.1 mttt -52.51 -44.29 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.517 ' CD1' HG22 ' A' ' 21' ' ' ILE . 66.8 mt -54.29 -23.0 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -91.4 -24.05 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.94 -7.0 44.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -66.02 -50.24 52.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -31.02 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ARG . 20.0 mt -67.79 160.28 74.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.52 16.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.25 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 83.3 m-20 -101.27 -40.8 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.54 -24.54 17.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.5 tttm -63.06 -57.31 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.4 -58.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.4 mp0 -61.71 -47.93 83.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.4 tpp -54.09 -47.53 71.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 43.9 t -60.49 -17.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.84 -38.23 9.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.77 -34.07 73.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.685 HG12 HD12 ' A' ' 47' ' ' LEU . 30.3 t -73.71 -33.71 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -57.77 -35.84 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.32 -57.02 4.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.4 mp0 -52.82 -30.28 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 HG12 ' A' ' 43' ' ' VAL . 18.2 mt -75.1 -57.38 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -60.85 -27.14 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.4 -29.05 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -87.03 -31.1 20.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -53.05 -45.66 68.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 8.9 pt-20 -63.01 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -52.71 -58.21 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.665 HD21 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -48.58 -34.68 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.59 -61.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLU . 23.6 mm-40 -55.87 -48.31 75.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.413 ' CE ' HD23 ' A' ' 54' ' ' LEU . 37.0 mtm -54.11 -50.92 65.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.69 -55.75 23.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 55' ' ' GLU . 8.1 mp -61.8 -13.78 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 tt0 -92.56 -59.48 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.639 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -40.75 -29.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' GLU . 1.8 mtp180 -55.16 -47.51 75.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -63.69 -41.16 98.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.66 HG23 ' HD2' ' A' ' 65' ' ' PRO . 6.1 mt -46.31 141.74 4.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.07 167.17 27.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -102.1 -4.52 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ARG . 47.2 t -128.98 -42.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HG2' HG13 ' A' ' 61' ' ' VAL . 3.9 mtp180 -38.02 -36.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -38.57 137.04 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER 81.26 -53.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.639 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -53.96 -60.8 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.8 t -44.7 -56.66 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -50.03 -42.42 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.09 -41.64 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.9 mmm -58.76 -33.69 70.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -77.6 -22.29 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.16 -53.69 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 6.1 m-85 -41.58 -61.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -40.37 -51.85 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -45.83 -58.89 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.7 OUTLIER -65.71 -59.77 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -62.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.62 -34.77 36.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.5 tttt -71.14 -37.39 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HB3' HD21 ' A' ' 47' ' ' LEU . 2.8 mt -58.66 -24.73 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -33.21 64.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.407 ' C ' ' N ' ' A' ' 90' ' ' PHE . 1.2 m -82.87 -63.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.35 -27.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' THR . 1.8 t80 -74.7 -45.34 44.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.823 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -72.28 -30.06 64.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.403 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 10.2 mtp180 -83.6 -1.95 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.6 p -105.14 -39.97 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -72.02 -18.92 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 91' ' ' LYS . 25.1 pt -84.83 -47.82 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.503 ' HB2' ' HB3' ' A' ' 29' ' ' PRO . . . 38.65 56.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.1 p -137.78 171.24 14.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.51 167.56 42.95 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.35 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 t -70.85 133.63 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.8 t 61.35 113.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -107.57 160.62 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.34 -61.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.88 -142.88 9.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.14 149.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.736 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.73 158.86 43.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.2 -149.65 7.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.1 166.29 24.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.64 142.68 3.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.1 m-85 -103.56 -61.57 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.23 -40.32 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -57.94 -60.7 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -52.7 55.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.657 ' CE1' HD21 ' A' ' 54' ' ' LEU . 78.4 t80 -55.54 -55.66 29.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.17 -52.69 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.14 -46.74 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 17' ' ' LEU . 13.4 mt -56.56 -66.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.461 HG21 ' CZ ' ' A' ' 14' ' ' PHE . 16.8 p -41.06 -64.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.9 10.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -55.96 25.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.622 HD11 ' HB3' ' A' ' 46' ' ' GLN . 74.6 mt -53.24 -61.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -38.57 -45.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ALA . 42.5 m -58.56 -62.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -51.34 -29.52 15.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.661 HD12 HD23 ' A' ' 86' ' ' LEU . 75.6 mt -73.55 -30.25 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -88.0 -5.55 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' LEU . 26.2 mtt180 -106.82 -13.4 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.739 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -56.43 -51.82 78.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.06 1.6 7.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -115.8 -9.87 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 43.0 mt -97.9 159.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 173.86 13.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.67 6.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.793 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.55 -43.79 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.5 -35.79 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 5.6 tttm -51.45 -58.66 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.6 tttp -40.0 -57.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -54.83 -50.1 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.739 ' HG2' HG23 ' A' ' 28' ' ' VAL . 2.5 ttm -57.7 -40.09 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 74.7 t -68.69 -8.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -104.68 -41.99 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -58.73 -38.05 77.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.736 HG12 HD12 ' A' ' 47' ' ' LEU . 25.8 t -67.92 -39.76 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -52.43 -31.11 32.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -66.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.622 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.7 mp0 -40.08 -32.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.736 HD12 HG12 ' A' ' 43' ' ' VAL . 33.6 mt -72.34 -59.11 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.57 -24.93 58.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -72.48 -56.44 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -34.06 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -43.48 -40.6 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 4.6 pt-20 -66.91 -42.07 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -48.78 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.7 mt -45.1 -35.19 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -64.83 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -51.11 -43.51 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.499 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 26.2 mtm -58.96 -41.99 88.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.44 -43.64 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' GLU . 10.8 mp -65.91 -11.28 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.4 mm-40 -102.39 -46.75 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.704 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.46 -25.78 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.22 -46.5 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -66.28 -42.24 88.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.723 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.0 mt -42.48 142.57 1.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.03 164.99 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.95 8.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -101.45 -29.98 11.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.439 ' HB3' HG23 ' A' ' 64' ' ' ILE . 1.4 t -94.62 -33.88 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 10.6 mtp180 -58.24 -27.88 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.6 -39.52 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -56.89 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.704 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -46.82 -39.33 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 75' ' ' ARG . 13.6 t -68.58 -61.45 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -42.12 -28.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 12.9 mtt180 -82.4 -47.23 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.499 ' HE3' ' HB3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.35 -31.87 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.49 -38.62 87.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -55.15 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 16.6 m-30 -39.48 -62.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.87 -50.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -58.78 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -60.56 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -64.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.77 -34.34 36.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.437 1.086 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -68.72 -43.51 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.369 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -51.34 -30.89 20.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -28.28 65.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -84.84 -67.82 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.16 -40.87 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.7 t80 -56.62 -42.95 79.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.3 -31.3 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 18.1 mtp180 -77.67 -0.12 25.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.439 ' OG ' HG11 ' A' ' 28' ' ' VAL . 3.0 p -108.2 -43.98 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' HG11 ' A' ' 28' ' ' VAL . 18.8 ptt85 -71.52 -8.48 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.84 HG23 ' O ' ' A' ' 91' ' ' LYS . 40.5 pt -88.31 9.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -90.99 86.38 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.17 142.42 24.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.64 -176.28 20.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.3 Cg_endo -75.01 69.59 5.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' PRO . 0.4 OUTLIER 164.51 100.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.5 m -85.7 -56.84 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -145.52 -58.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.88 162.01 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 139.02 2.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 t -141.21 -70.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 110.026 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.08 87.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.89 102.23 0.72 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.97 140.49 29.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.793 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.77 132.9 6.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-85 -114.77 -65.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.9 mp0 -38.2 -53.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -45.16 -62.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -55.1 25.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.739 ' CE2' HD21 ' A' ' 54' ' ' LEU . 45.7 t80 -50.34 -65.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.92 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.09 -43.26 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' PHE . 10.6 mt -57.39 -65.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' ALA . 25.4 p -41.47 -67.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . . . -39.99 -59.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.37 -51.25 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.717 HG23 HG13 ' A' ' 43' ' ' VAL . 34.4 mt -54.41 -63.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -38.7 -48.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.39 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ALA . 47.6 m -53.16 -66.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -46.99 -37.73 9.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.674 ' CD1' HG22 ' A' ' 21' ' ' ILE . 80.2 mt -66.51 -37.73 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.53 -12.33 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -97.96 -18.98 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.796 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -51.94 -50.8 76.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 2.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -128.67 21.24 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 38.7 mt -126.13 159.44 62.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.74 -50.17 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.43 -32.85 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -53.71 -59.2 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.59 -56.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -57.47 -51.38 69.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.796 ' HG2' HG23 ' A' ' 28' ' ' VAL . 2.6 ttm -55.77 -40.98 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 78.8 t -70.05 -7.29 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.14 -47.45 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -53.68 -40.08 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.717 HG13 HG23 ' A' ' 21' ' ' ILE . 55.5 t -65.78 -40.39 87.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -55.89 -26.86 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -57.65 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -52.37 -28.3 18.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 47' ' ' LEU . 17.8 mt -70.51 -63.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.0 pt-20 -53.05 -32.11 45.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.76 -29.52 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.61 -27.36 23.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -57.93 -37.97 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -31.51 69.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -57.82 -55.61 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.739 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.1 mt -52.13 -33.61 40.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -65.76 -54.64 24.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -63.28 -48.61 77.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.8 mtm -54.29 -45.12 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -71.58 -36.91 71.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -70.55 -7.54 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -107.95 -43.0 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.648 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.52 -22.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -61.23 -44.95 96.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.83 -30.23 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.724 HG23 ' HD2' ' A' ' 65' ' ' PRO . 7.3 mt -54.29 142.4 49.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.06 162.99 36.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.27 -23.66 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 t -105.64 -44.46 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.45 ' CD ' HG13 ' A' ' 61' ' ' VAL . 6.9 mtp180 -44.14 -32.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.96 0.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -60.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.648 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -46.22 -47.8 17.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 t -52.3 -56.89 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.31 -38.46 19.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.569 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.26 -48.18 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -42.95 -58.32 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -51.48 42.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -63.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 8.2 m-85 -38.17 -64.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.25 -56.34 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -48.8 -58.31 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.88 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 mmm -44.51 -60.69 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.63 -35.03 15.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -41.38 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.1 -28.73 26.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -24.97 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -91.1 -62.52 1.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -47.67 -34.13 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.542 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.0 t80 -62.69 -42.77 99.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.825 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -77.69 -27.82 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 9.6 mtp180 -80.87 1.04 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.596 ' OG ' HG11 ' A' ' 28' ' ' VAL . 1.5 p -106.66 -46.15 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -67.94 -24.3 65.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 91' ' ' LYS . 47.4 pt -72.97 -10.39 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -71.22 139.62 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.88 -44.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.943 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.98 -155.2 8.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -46.3 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 p -104.19 -47.02 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m 51.54 77.39 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.61 -58.26 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 110.0 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -66.47 132.31 47.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.054 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.59 -137.79 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 p -143.93 -61.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.013 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.35 165.04 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.41 -90.89 0.41 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.55 153.88 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.2 -122.17 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 9.5 m-85 -64.43 -62.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -42.42 -52.05 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -65.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.85 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' A' ' 18' ' ' THR . 91.3 t80 -40.5 -62.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.58 -55.37 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -53.68 -38.17 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.43 -66.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.658 HG21 ' CE2' ' A' ' 14' ' ' PHE . 80.4 p -38.93 -45.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.53 -61.67 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -28.38 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.568 HG23 HG13 ' A' ' 43' ' ' VAL . 45.2 mt -78.85 -65.17 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.75 -46.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.1 m -61.46 -55.49 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 17.2 mttm -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.713 HD12 HD23 ' A' ' 86' ' ' LEU . 65.9 mt -58.29 -32.6 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.15 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.0 mtm180 -88.48 -32.49 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.492 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -37.89 -53.25 2.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -29.59 8.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 32.0 mtt180 -95.04 31.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 47.4 mt -129.86 159.68 68.72 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.97 168.6 24.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.72 7.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.69 -33.03 9.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.58 -21.5 14.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 18.7 tttm -64.33 -57.27 9.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -57.51 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ASN . 25.1 mm-40 -59.28 -43.74 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.489 ' HG3' HG23 ' A' ' 28' ' ' VAL . 30.0 tpp -61.14 -39.62 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.6 t -76.12 -1.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.42 -36.27 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' GLN . 9.9 t-20 -66.39 -44.24 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.568 HG13 HG23 ' A' ' 21' ' ' ILE . 39.1 t -61.43 -36.96 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -54.34 -19.22 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -58.89 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.71 -31.12 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.488 HD12 HG12 ' A' ' 43' ' ' VAL . 17.8 mt -68.82 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.98 -28.66 24.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.49 -28.76 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.22 -27.64 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.06 -46.35 88.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.98 -36.38 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -54.1 -58.4 7.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.61 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.5 mt -50.95 -31.05 16.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.7 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.36 -51.14 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.501 ' HE2' HD23 ' A' ' 54' ' ' LEU . 32.5 mtm -55.05 -39.1 68.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.36 -49.43 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -8.87 46.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.18 -47.47 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.67 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.67 -23.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.14 -52.15 66.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 64' ' ' ILE . 5.0 pt-20 -62.34 -40.67 97.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.0 mt -42.42 142.57 1.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 163.04 36.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.05 -17.84 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -112.21 -24.99 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLY . 5.7 mtp180 -67.37 -28.82 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -37.4 -44.55 1.21 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.67 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -40.16 -50.81 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' ARG . 36.5 p -50.63 -69.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -41.67 -29.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -78.86 -51.25 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.83 -46.01 3.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.98 -47.12 87.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -58.97 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 11' ' ' GLU . 15.3 m-85 -47.82 -61.41 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -55.18 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -50.95 -55.27 18.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.98 -54.64 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.71 -68.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.84 -39.05 4.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 88' ' ' THR . 11.6 ttmt -67.1 -46.09 75.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.713 HD23 HD12 ' A' ' 25' ' ' ILE . 1.3 mt -49.32 -30.16 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -36.08 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' LYS . 1.3 m -81.63 -60.46 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.364 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -33.28 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.425 ' HA ' HG23 ' A' ' 25' ' ' ILE . 4.8 t80 -66.79 -46.74 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -74.81 -20.8 59.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.404 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 4.9 mtp180 -88.85 -0.27 57.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.8 p -107.22 -37.93 6.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 25.4 ptt180 -76.76 -2.38 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 91' ' ' LYS . 24.2 pt -93.35 24.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.01 78.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.3 p -153.03 153.09 32.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -42.57 110.16 0.24 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.568 1.825 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.8 t -147.74 103.08 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.1 p -152.15 156.34 39.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 p -97.92 86.41 3.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.91 126.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.76 93.56 0.49 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.17 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.963 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.68 153.81 25.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.09 98.24 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -85.86 128.53 34.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.92 140.77 7.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.435 ' HB3' HD23 ' A' ' 53' ' ' LEU . 14.3 m-85 -103.72 -60.55 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.94 -53.15 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.2 tt0 -44.04 -68.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -65.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.794 ' CE2' HG21 ' A' ' 18' ' ' THR . 54.2 t80 -44.34 -49.73 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -51.73 -57.04 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.85 -42.41 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' OE1' ' A' ' 46' ' ' GLN . 10.8 mt -62.41 -72.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.794 HG21 ' CE2' ' A' ' 14' ' ' PHE . 41.7 p -38.56 -38.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.36 -68.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -45.02 -28.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.789 HD11 ' CB ' ' A' ' 46' ' ' GLN . 54.3 mt -78.86 -56.43 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -44.77 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -65.34 -55.43 18.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -52.62 -38.38 60.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.626 HD12 HD23 ' A' ' 86' ' ' LEU . 52.3 mt -62.65 -33.33 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.8 -8.94 59.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.9 mtt180 -101.71 -21.12 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.86 -51.04 77.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -123.05 9.1 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.0 mt -109.61 153.72 42.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.37 -39.0 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -99.11 -29.17 13.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.9 tttt -59.53 -57.69 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.48 -54.84 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -67.33 -48.65 66.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -51.79 -55.24 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 47.8 t -49.99 -25.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.78 -41.04 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -56.46 -33.54 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 47' ' ' LEU . 17.8 t -75.66 -42.63 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.8 mt-10 -48.82 -32.53 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -69.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.789 ' CB ' HD11 ' A' ' 21' ' ' ILE . 19.9 mm-40 -38.68 -33.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 43' ' ' VAL . 44.2 mt -70.62 -62.38 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 5.4 pt-20 -53.82 -23.95 13.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.32 -55.96 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -60.12 -63.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -44.85 -39.46 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -52.1 -62.7 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.746 HD13 ' HG2' ' A' ' 80' ' ' LYS . 3.4 mt -42.32 -36.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -55.9 18.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.62 -43.01 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.548 ' HE2' HD23 ' A' ' 54' ' ' LEU . 32.7 mtm -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -77.61 -34.72 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.59 -3.83 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.35 -50.02 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.636 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 1.3 t -52.33 -23.37 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -49.34 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.54 -28.29 66.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.722 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.6 mt -57.27 142.06 76.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.97 162.81 36.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.12 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -35.48 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' ARG . 46.3 t -89.71 -45.6 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -37.23 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 40.78 -94.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -57.43 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.771 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.636 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.42 -47.89 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -55.3 -49.77 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' ARG . 2.6 m-20 -69.67 -58.61 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -44.29 -27.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -40.48 70.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -63.89 -28.59 69.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -80.95 -54.4 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.058 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 75' ' ' ARG . 20.9 m-85 -47.81 -65.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.746 ' HG2' HD13 ' A' ' 54' ' ' LEU . 9.7 mttt -45.99 -49.19 16.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -53.14 -62.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -53.2 51.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.87 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.45 -39.77 3.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -67.38 -45.27 76.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.626 HD23 HD12 ' A' ' 25' ' ' ILE . 1.6 mt -50.78 -30.57 14.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -37.02 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.6 m -80.75 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -42.1 -33.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -64.52 -47.97 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.878 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.92 -31.6 63.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -78.23 2.62 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -30.61 8.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -13.24 41.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.878 HG23 ' O ' ' A' ' 91' ' ' LYS . 1.6 pp -95.2 25.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.53 103.67 13.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.42 121.69 7.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -45.51 155.48 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.34 31.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.1 t -114.81 109.3 17.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.96 145.99 34.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 0.0 111.02 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -144.79 170.26 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.961 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -117.52 169.89 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.74 -139.99 6.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -122.51 162.6 21.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.776 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.85 161.19 30.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.27 166.88 12.71 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -135.7 153.83 51.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.85 148.08 5.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -118.56 -64.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.49 -50.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -43.68 -65.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -48.92 -62.83 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.799 ' CE2' HD21 ' A' ' 54' ' ' LEU . 60.9 t80 -45.2 -58.7 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -51.78 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.0 t -56.98 -43.53 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 7.7 mt -58.58 -66.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.72 HG21 ' CE1' ' A' ' 14' ' ' PHE . 41.1 p -41.96 -58.35 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 22' ' ' THR . . . -49.89 -60.58 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.47 -49.35 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.625 HD11 ' CB ' ' A' ' 46' ' ' GLN . 85.1 mt -59.14 -63.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -37.63 -42.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.2 m -62.63 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -49.9 -31.17 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 86' ' ' LEU . 66.1 mt -70.99 -34.76 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -84.63 -1.83 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -111.65 -16.41 13.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.676 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -53.47 -51.82 72.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.0 1.23 7.97 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.42 22.95 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD12 ' SD ' ' A' ' 39' ' ' MET . 48.0 mt -127.72 160.28 61.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -100.89 -47.96 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -82.86 -34.65 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 3.1 tttm -51.95 -57.95 7.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.68 -62.28 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -49.79 -55.64 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.676 ' HG2' HG23 ' A' ' 28' ' ' VAL . 3.9 ttm -54.41 -38.32 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.3 t -72.52 -4.99 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.0 -48.58 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -53.32 -38.73 63.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.705 HG12 HD12 ' A' ' 47' ' ' LEU . 35.0 t -66.76 -44.65 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -48.5 -28.32 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -68.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.625 ' CB ' HD11 ' A' ' 21' ' ' ILE . 15.1 mm-40 -38.91 -35.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.705 HD12 HG12 ' A' ' 43' ' ' VAL . 44.4 mt -69.37 -60.35 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 4.9 pt-20 -55.5 -23.56 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.68 -57.0 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -58.2 -27.43 63.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -56.97 -40.34 76.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.43 -30.65 69.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -61.63 -59.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.799 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.0 mt -45.11 -35.92 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.645 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.0 -61.46 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 64.7 mm-40 -58.96 -41.96 88.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.576 ' HE3' HD23 ' A' ' 54' ' ' LEU . 17.3 mtm -58.09 -47.89 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.06 -43.34 62.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 55' ' ' GLU . 9.3 mp -64.56 -12.15 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.9 mm-40 -101.38 -58.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.12 -27.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -35.83 79.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.69 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.4 mt -59.57 141.5 88.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.99 164.92 32.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -108.43 -11.62 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 -2.43 9.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.57 45.34 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -87.65 123.49 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER 78.98 -54.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.85 -31.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' MET . 8.1 t -75.68 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -51.53 -37.31 48.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.552 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -61.89 -53.09 60.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -54.77 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -52.72 -20.32 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.7 -60.59 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 12.0 m-85 -39.3 -56.41 1.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HG2' HD13 ' A' ' 54' ' ' LEU . 8.1 mttm -53.93 -51.52 63.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -48.81 -57.66 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -58.4 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.43 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.74 -46.96 4.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' THR . 4.0 mttt -61.86 -48.15 81.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.694 HD23 HD12 ' A' ' 25' ' ' ILE . 1.4 mt -47.51 -33.75 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.9 -38.02 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.4 m -73.43 -67.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -40.78 -45.2 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -55.38 -44.5 76.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -81.54 -17.73 47.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' THR . 5.2 mtt180 -94.72 0.01 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ASP . 15.4 p -103.93 -35.61 8.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -71.7 -15.84 62.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 91' ' ' LYS . 4.0 pt -86.75 46.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -121.1 121.94 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.9 m 71.01 82.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.31 148.03 7.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.81 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 t -119.74 152.17 37.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t 67.93 168.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.558 1.161 . . . . 0.0 110.994 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t 63.74 153.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.983 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.94 -58.89 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 -166.45 27.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -155.26 135.64 13.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 132.59 53.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.97 170.68 53.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.68 150.69 46.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 0.74 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.97 138.63 5.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' GLU . 15.1 m-85 -106.16 -66.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 6.5 mt-10 -38.79 -52.11 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -47.65 -67.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -62.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.729 ' CE1' HG21 ' A' ' 18' ' ' THR . 38.5 t80 -49.83 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.81 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.68 -36.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.8 mt -71.66 -64.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.729 HG21 ' CE1' ' A' ' 14' ' ' PHE . 28.2 p -38.43 -47.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.44 -52.09 64.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.42 -36.82 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 mt -71.13 -60.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -40.7 -42.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 m -60.09 -58.28 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -54.14 -37.1 64.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.722 HD12 HD23 ' A' ' 86' ' ' LEU . 57.1 mt -60.93 -23.58 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.45 -20.2 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -97.23 -8.55 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' OG ' ' A' ' 93' ' ' SER . 0.9 OUTLIER -65.73 -50.13 56.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.11 8.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.21 -31.81 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 17.5 mt -67.21 158.66 80.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.95 174.14 13.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 3.21 5.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -96.61 -48.2 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 71.2 tttt -54.75 -58.58 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.75 -55.18 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -66.48 -47.14 74.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.6 tpp -53.43 -53.51 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 37.7 t -53.49 -21.68 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.36 -40.86 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -55.43 -35.98 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.762 HG12 HD12 ' A' ' 47' ' ' LEU . 5.7 t -72.72 -38.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 1.7 mt-10 -54.12 -29.01 43.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -68.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 62.8 mm-40 -42.81 -32.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 43' ' ' VAL . 27.6 mt -70.53 -52.26 23.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.2 -27.28 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.01 -57.02 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -59.55 -38.18 80.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -41.33 -40.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLU . 1.9 tt0 -65.88 -46.13 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -45.53 -57.27 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.4 mt -51.66 -33.1 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.31 -51.15 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -66.09 -45.67 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.495 ' HE2' HD23 ' A' ' 54' ' ' LEU . 30.7 mtm -58.61 -38.38 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.24 -35.32 48.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -74.24 -4.06 33.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.49 -44.1 3.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 72' ' ' TYR . 1.4 t -56.3 -18.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -51.54 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.76 -36.67 84.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -47.04 142.82 4.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 164.93 32.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.442 1.759 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.37 7.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -95.87 -40.55 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.13 -43.18 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.78 -30.36 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.34 -35.69 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.59 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -42.38 -46.78 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.3 m -52.08 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.1 t-20 -39.9 -44.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 4.8 mmt180 -69.56 -56.06 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.85 -54.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -48.73 41.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 22.9 m-85 -41.58 -64.19 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -43.83 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -59.31 -58.03 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.93 -56.71 17.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -64.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.3 -38.47 19.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -43.37 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 25' ' ' ILE . 3.8 mt -51.79 -27.39 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -42.35 59.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -75.37 -60.85 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.28 -32.06 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 1.7 t80 -70.14 -46.61 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.791 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.3 pttp -68.55 -24.53 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -3.36 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.556 ' OG ' HG11 ' A' ' 28' ' ' VAL . 5.7 p -102.33 -39.83 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -71.22 -12.79 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 91' ' ' LYS . 17.5 pt -93.45 -46.87 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' A' ' 29' ' ' PRO . . . 39.8 48.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.3 m -156.74 165.98 34.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.97 164.06 15.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 p -149.32 -57.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.76 153.52 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.27 144.88 43.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -143.18 132.61 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 -132.68 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.43 169.47 18.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.32 143.61 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.66 108.61 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.417 1.073 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.58 146.07 42.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.67 106.43 2.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ASP . 18.0 m-85 -81.33 -59.68 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' CD ' ' CZ ' ' A' ' 72' ' ' TYR . 1.5 mp0 -37.85 -53.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -43.76 -44.87 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -74.36 -39.72 62.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 53.0 t80 -59.17 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -51.44 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.11 -33.65 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.25 -67.97 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -41.81 -54.1 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.71 -42.8 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.656 HG22 HD22 ' A' ' 86' ' ' LEU . 91.9 mt -61.47 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.76 -44.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.0 m -59.89 -57.69 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -53.46 -40.1 65.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.807 HD12 HD23 ' A' ' 86' ' ' LEU . 65.6 mt -60.21 -33.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.63 -13.0 58.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -98.64 -20.59 16.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.02 -51.91 66.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 1.48 7.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -123.48 8.65 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.6 mt -108.54 160.21 28.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.04 168.74 24.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -35.64 9.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -99.46 -26.35 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 35.2 tttt -62.25 -57.9 9.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.6 -57.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' ASN . 82.0 mm-40 -61.36 -45.91 92.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.7 tpp -56.47 -46.6 80.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.8 t -62.69 -13.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -101.79 -35.67 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.4 t-20 -63.93 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 47' ' ' LEU . 15.1 t -66.38 -36.43 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.1 mt-10 -54.45 -39.61 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -55.79 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.513 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.9 mp0 -54.8 -26.62 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.5 mt -73.43 -60.63 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.1 -27.33 61.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.48 -34.9 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.9 -29.63 50.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -58.02 -55.76 30.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.62 -28.82 66.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD22 ' SD ' ' A' ' 57' ' ' MET . 2.2 mt -57.87 -64.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 88.9 mt -43.01 -37.71 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.881 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.29 -43.33 67.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.3 mm-40 -77.71 -55.42 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.805 ' SD ' HD22 ' A' ' 53' ' ' LEU . 3.0 mpp? -49.36 -35.38 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' HE3' ' A' ' 76' ' ' MET . 5.6 t0 -81.72 -36.23 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 55' ' ' GLU . 4.3 mt -75.59 -2.14 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -111.4 -57.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.6 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.58 -26.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -47.39 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -17.11 61.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.734 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.2 mt -67.64 142.45 96.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.98 165.21 31.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 1.04 8.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.38 -21.26 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' GLY . 40.2 t -108.98 -39.45 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' SER . 3.5 ttt180 -37.31 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -37.7 134.18 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 80.61 -52.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -56.78 -45.41 82.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -58.05 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.63 -38.21 9.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 2.4 mmt180 -69.28 -59.98 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.46 ' HE3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -39.55 -34.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -61.62 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 0.0 110.359 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.43 -47.14 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 13.9 m-30 -45.26 -69.63 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -39.51 -50.1 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -58.66 -47.5 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -65.39 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.54 ' HG3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.55 -61.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.86 -48.24 45.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.39 -41.35 98.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.807 HD23 HD12 ' A' ' 25' ' ' ILE . 2.2 mt -52.01 -31.8 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -38.79 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -79.9 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -46.63 -38.58 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -58.07 -46.14 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.718 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -75.87 -31.28 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.401 ' HA ' HG12 ' A' ' 95' ' ' ILE . 3.5 mtt180 -78.67 3.35 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.6 p -110.26 -36.18 5.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -75.33 -20.81 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -85.19 52.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.38 114.58 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.97 62.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.38 -158.56 19.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -46.21 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER 178.17 99.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 m 69.42 -66.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 100' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p -146.25 166.6 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.968 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.14 168.55 10.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.6 -162.62 23.25 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.6 106.28 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.22 -56.43 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.57 -177.17 20.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.98 164.71 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.362 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.88 129.08 2.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 6.4 m-85 -117.36 -61.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' TYR . 4.8 mp0 -38.96 -49.95 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.97 -64.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.43 -54.2 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CE1' HD21 ' A' ' 54' ' ' LEU . 70.6 t80 -52.16 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.89 -37.66 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -72.27 -44.61 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' A' ' 50' ' ' ALA . 12.0 mt -47.73 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 22' ' ' THR . 32.1 p -35.37 -68.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' THR . . . -40.2 -50.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.83 -52.84 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.677 ' CG2' HG13 ' A' ' 43' ' ' VAL . 33.2 mt -57.24 -65.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -35.86 -42.35 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ALA . 27.1 m -61.65 -62.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 12.2 mttt -51.6 -27.88 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 89' ' ' ASP . 50.3 mt -70.28 -31.32 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.47 -21.13 53.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.98 -17.13 26.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.03 -51.4 68.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 -14.64 20.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.463 1.77 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -102.89 6.97 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ARG . 26.8 mt -107.18 159.98 28.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.06 170.67 19.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.34 7.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -43.41 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.78 -29.95 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 6.9 tttm -59.73 -56.06 26.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -50.21 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -70.69 -43.81 68.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.406 ' SD ' ' HB3' ' A' ' 24' ' ' LYS . 31.0 tpp -56.54 -53.99 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 90' ' ' PHE . 37.9 t -53.52 -21.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 -35.92 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.23 -42.72 86.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 21' ' ' ILE . 24.2 t -66.03 -36.19 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -59.44 -27.92 66.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -81.09 -58.65 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.49 -30.01 38.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 86' ' ' LEU . 15.0 mt -68.07 -62.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 8.3 pt-20 -54.8 -32.06 59.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.8 mm-40 -66.14 -28.54 68.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -85.9 -29.99 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -39.11 64.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.94 -37.21 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -51.83 -65.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.679 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.5 mt -42.64 -35.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -70.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.5 mm-40 -48.98 -42.51 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 12.7 mtm -58.05 -47.65 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.73 -47.61 52.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.89 -14.15 31.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.6 mm-40 -97.61 -52.9 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -44.64 -28.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -34.09 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -21.87 42.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.737 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.7 mt -69.89 142.54 90.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 166.39 29.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -102.83 -19.0 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.401 ' HB3' HG23 ' A' ' 64' ' ' ILE . 1.4 t -116.51 10.83 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -30.1 12.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.07 -40.7 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -59.76 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -48.27 -55.22 11.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -54.58 14.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -49.54 -45.18 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -68.24 -47.31 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.473 ' HE3' ' HB3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -42.64 -53.45 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -32.73 72.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -67.36 -55.05 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 20.6 m-85 -49.53 -49.45 45.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HG3' HD13 ' A' ' 54' ' ' LEU . 34.1 mttt -55.86 -39.02 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -65.86 -42.13 90.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.78 -51.13 44.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 4.7 mmm -58.03 -65.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.32 -30.29 2.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -68.52 -43.68 76.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.608 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -51.13 -35.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.9 -19.22 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 85' ' ' LYS . 1.8 m -94.87 -59.0 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 2.8 m-20 -54.4 -24.62 20.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 8.8 t80 -78.5 -37.64 42.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 95' ' ' ILE . 2.1 tttp -85.19 -13.5 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -99.07 3.39 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.416 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -116.06 -38.4 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -76.53 0.16 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 91' ' ' LYS . 13.0 pt -94.16 23.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.92 93.02 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.5 m -99.98 97.23 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.13 -145.76 46.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 82.2 2.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.52 154.05 20.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 p -172.36 -57.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -169.91 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p -167.72 142.9 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.85 113.67 3.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.49 -59.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.0 165.39 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.959 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.67 179.6 17.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -108.27 146.44 32.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.08 150.93 5.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' GLU . 35.7 m-85 -123.71 -67.1 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.6 mp0 -38.75 -50.37 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -50.55 -56.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.52 -59.46 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.684 ' CE2' HG21 ' A' ' 18' ' ' THR . 90.4 t80 -51.54 -53.22 40.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.88 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.64 -52.39 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.506 HD23 ' OE1' ' A' ' 46' ' ' GLN . 12.5 mt -50.83 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.684 HG21 ' CE2' ' A' ' 14' ' ' PHE . 24.4 p -42.77 -59.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.69 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -46.58 -51.05 16.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.764 HD11 ' HB3' ' A' ' 46' ' ' GLN . 58.7 mt -57.36 -60.86 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.49 -45.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ALA . 20.7 m -59.71 -62.07 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -50.16 -34.66 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.357 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 HD23 ' A' ' 86' ' ' LEU . 69.6 mt -63.39 -31.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -81.45 -17.95 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -92.97 -18.29 22.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.3 -52.2 68.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -121.91 14.8 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.96 156.76 47.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.77 15.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.62 8.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -98.4 -36.76 9.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.85 -28.56 13.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 16.4 tttm -57.77 -57.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -59.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.58 -42.4 83.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 35.2 tpp -62.16 -38.55 89.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 40' ' ' VAL . 73.5 t -73.95 -4.26 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.08 -37.35 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.603 HG13 HG23 ' A' ' 21' ' ' ILE . 18.8 t -66.25 -34.33 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 34.7 mm-40 -55.71 -33.27 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.71 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.764 ' HB3' HD11 ' A' ' 21' ' ' ILE . 15.4 mm-40 -50.32 -31.64 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD12 HG12 ' A' ' 43' ' ' VAL . 18.8 mt -71.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 51' ' ' ARG . 8.4 pt-20 -56.03 -36.25 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.42 -25.0 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.58 -32.68 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.439 ' CD ' ' HA ' ' A' ' 48' ' ' GLU . 1.6 mtt180 -48.6 -41.13 29.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 9.4 pt-20 -65.36 -41.62 93.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -50.8 -54.84 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.6 mt -54.31 -31.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.504 ' CD ' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -71.56 -53.95 12.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 41.3 mm-40 -64.24 -43.29 95.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.9 mtm -60.89 -40.49 93.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.06 -42.77 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD23 HH21 ' A' ' 62' ' ' ARG . 13.0 mt -65.69 -10.33 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 mm-40 -100.64 -51.58 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.586 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -49.61 -23.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.51 HH21 HD23 ' A' ' 59' ' ' LEU . 16.5 mtm180 -61.6 -52.6 63.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -63.24 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.715 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.7 mt -55.86 142.07 64.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 165.13 31.97 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.525 1.802 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 -17.1 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -114.32 -11.7 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 4.0 ttp180 -70.8 -19.83 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -38.92 144.46 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.1 -60.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.83 -41.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -68.39 -50.96 49.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.07 -24.78 64.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.9 mtm180 -84.07 -33.15 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.92 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -50.49 -30.4 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLN . 10.1 t -76.98 -63.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 21.2 m-85 -38.5 -37.5 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -48.48 41.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -50.55 -33.96 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -82.44 -53.97 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -63.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.84 64.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.64 -41.75 95.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD23 HD12 ' A' ' 25' ' ' ILE . 1.3 mt -54.13 -38.38 65.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -23.89 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -87.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.82 -36.45 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 2.8 t80 -64.53 -44.85 89.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.875 ' HA ' HD12 ' A' ' 95' ' ' ILE . 6.3 mtp180 -72.5 -32.07 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.229 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -65.24 -42.8 92.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -76.05 -13.23 60.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 92' ' ' ARG . 15.1 mt -74.71 -44.52 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.76 126.06 25.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.5 t -126.27 114.79 18.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.0 -152.4 51.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 122.26 7.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -162.33 -60.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.23 100.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 p -81.86 123.05 28.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 p -78.62 161.84 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.4 -130.57 1.59 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.13 114.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t 178.44 148.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.07 -101.41 2.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 62.99 154.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.17 -153.43 30.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -120.07 -59.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.75 -57.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -39.76 -54.03 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.16 -58.7 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.846 ' CE2' HD21 ' A' ' 54' ' ' LEU . 59.7 t80 -49.56 -57.6 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.28 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.0 t -54.59 -47.57 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 50' ' ' ALA . 14.7 mt -53.29 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.636 HG21 ' CE1' ' A' ' 14' ' ' PHE . 35.4 p -39.15 -70.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.0 -53.41 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.57 -51.24 67.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.651 HG22 ' CD1' ' A' ' 25' ' ' ILE . 54.2 mt -57.73 -63.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -37.62 -41.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.0 m -62.17 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -47.19 -33.19 5.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.651 ' CD1' HG22 ' A' ' 21' ' ' ILE . 79.1 mt -67.5 -39.41 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -76.93 -10.61 59.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.23 -20.36 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.755 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -50.74 -50.49 73.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 2.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -129.87 34.96 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.527 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 52.2 mt -139.09 156.18 72.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 174.06 13.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 2.35 6.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 30.0 m-20 -100.55 -45.99 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.45 -35.81 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 22.6 tttt -52.44 -55.7 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.7 tptt -40.25 -60.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 5.3 mp0 -52.9 -53.11 53.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.755 ' HG2' HG23 ' A' ' 28' ' ' VAL . 1.9 ttm -54.8 -39.41 68.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 24.0 t -72.39 -5.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.75 -47.76 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -55.03 -39.29 68.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.666 HG12 HD12 ' A' ' 47' ' ' LEU . 35.5 t -65.83 -42.56 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -51.68 -28.39 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -85.6 -67.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.508 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.4 mp0 -38.81 -38.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 43' ' ' VAL . 48.2 mt -67.78 -57.03 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.22 -21.53 59.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 57.1 mm-40 -78.92 -57.41 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -59.17 -16.73 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.29 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 pt-20 -50.98 -30.01 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -61.38 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.846 HD21 ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -45.59 -35.56 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.72 -64.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -55.43 -44.36 76.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.626 ' HE2' HD23 ' A' ' 54' ' ' LEU . 22.0 mtm -57.31 -43.32 83.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.33 -46.28 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 55' ' ' GLU . 10.3 mp -60.98 -14.84 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -98.87 -49.15 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.659 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.93 -22.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -64.87 -53.0 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.53 -38.71 81.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -41.41 142.34 0.99 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 161.74 38.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.53 8.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -95.0 -30.59 14.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' GLY . 21.7 t -97.39 -36.84 10.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 5.1 mtp180 -57.4 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -129.57 -69.24 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' TYR . 10.6 mmt -72.53 -52.41 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.2 -48.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -54.44 -62.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.49 -47.57 57.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 13.1 mtm-85 -59.26 -50.07 75.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -48.81 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -58.76 -24.12 61.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -86.95 -62.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 10.6 m-85 -37.34 -58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -47.99 -59.32 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -43.17 -63.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.95 -59.21 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -67.0 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.31 -35.43 43.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -41.08 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 1.3 mt -55.09 -35.71 64.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.08 -19.57 66.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.416 HG22 ' HD3' ' A' ' 92' ' ' ARG . 1.6 m -93.2 -69.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.92 -31.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -63.21 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 4.2 ptmt -68.92 -38.74 79.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.715 ' HA ' HD12 ' A' ' 95' ' ' ILE . 19.5 mtp85 -66.13 -47.65 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.44 ' OG ' ' CG2' ' A' ' 25' ' ' ILE . 2.5 m -44.44 -41.97 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.449 ' HD2' ' CG2' ' A' ' 40' ' ' VAL . 5.8 mtm105 -73.33 -35.37 66.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 92' ' ' ARG . 73.3 mt -59.08 -69.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 95' ' ' ILE . . . 39.23 82.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.09 165.5 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.13 115.61 3.2 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.99 4.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.1 t 63.07 129.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.34 -59.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p 177.85 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.64 149.9 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.81 -174.87 35.02 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.0 166.55 4.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.96 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -166.57 167.81 15.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.1 148.72 17.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.63 60.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 148.21 159.53 8.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 12.0 m-85 -107.97 -56.28 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 1.1 mp0 -40.22 -48.68 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -47.28 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -46.76 -59.21 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.715 ' CE1' HG21 ' A' ' 18' ' ' THR . 37.4 t80 -49.55 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.55 -41.38 14.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -67.85 -35.64 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.3 mt -72.0 -62.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.715 HG21 ' CE1' ' A' ' 14' ' ' PHE . 70.7 p -40.48 -48.34 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -65.49 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.85 -27.86 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.583 HG22 ' CD1' ' A' ' 25' ' ' ILE . 62.4 mt -80.21 -63.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -38.17 -45.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 m -56.56 -57.73 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -54.81 -39.31 68.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.644 ' CD1' HD23 ' A' ' 86' ' ' LEU . 64.2 mt -60.22 -26.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.31 -15.88 32.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.53 -19.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.34 -50.93 80.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.22 7.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -121.98 3.24 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.5 mt -103.28 161.02 24.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 169.71 22.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.13 6.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 64.6 m-20 -97.56 -44.41 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.45 -32.76 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.8 tttt -53.41 -61.15 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -38.84 -56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 3.6 mp0 -63.38 -46.28 87.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -56.29 -45.72 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.3 t -64.68 -12.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.54 -37.56 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -62.07 -38.48 88.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 47' ' ' LEU . 24.2 t -68.38 -34.35 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mt-10 -58.71 -44.22 90.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.41 -52.98 21.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.456 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 51.0 mm-40 -59.15 -26.86 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 43' ' ' VAL . 12.0 mt -70.99 -57.23 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.2 pt-20 -60.07 -32.76 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 2.1 mm-40 -63.43 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -22.62 29.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -51.81 67.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.63 -37.52 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.79 -58.82 4.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.551 HD23 ' HE2' ' A' ' 57' ' ' MET . 3.8 mt -51.97 -32.09 31.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.725 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -72.14 -46.99 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -69.89 -50.42 42.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.551 ' HE2' HD23 ' A' ' 54' ' ' LEU . 35.2 mtm -52.66 -42.09 64.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.11 -36.3 66.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -72.48 -7.53 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 62' ' ' ARG . 2.1 mm-40 -107.08 -50.64 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.37 -25.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -62.07 -39.32 92.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.68 -39.34 77.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -45.07 142.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 159.62 41.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 59.79 5.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -167.58 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -81.17 -23.12 38.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NE ' HG13 ' A' ' 61' ' ' VAL . 6.8 mtp180 -54.86 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 41.35 -98.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' ASN . 20.9 mmt -52.17 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.69 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.26 -52.2 66.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 71' ' ' MET . 14.3 t30 -72.18 -63.25 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 5.5 mtp85 -39.19 -34.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -60.98 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.47 -30.26 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -75.68 -54.53 6.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 8.8 m-85 -47.55 -32.18 5.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HG2' HD13 ' A' ' 54' ' ' LEU . 34.5 mttt -77.01 -32.23 56.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -59.15 -36.15 74.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 16.1 tp10 -84.48 -51.49 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.409 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.87 -60.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.09 -43.0 62.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -41.7 96.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD23 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -52.28 -32.68 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.88 68.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -82.9 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.83 -32.84 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.552 ' HA ' HG23 ' A' ' 25' ' ' ILE . 5.0 t80 -69.0 -46.47 67.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -86.41 4.22 40.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.2 p -111.8 -32.74 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -85.65 3.3 41.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 91' ' ' LYS . 28.6 pt -106.0 18.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.44 121.09 44.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.8 t -141.34 -46.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.44 -146.96 5.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.09 39.22 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -165.63 143.83 5.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 t 52.23 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 100' ' ' SER . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.103 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.8 119.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.05 -72.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.74 -163.47 31.74 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.11 156.41 24.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.55 156.19 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.15 171.56 18.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.65 146.39 43.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.58 130.86 1.18 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.9 -58.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -41.38 -55.95 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -42.99 -64.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -56.73 5.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 87.4 t80 -52.06 -61.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.29 -38.82 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -69.85 -37.96 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' PHE . 7.5 mt -63.35 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -42.55 -26.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 17' ' ' LEU . . . -86.47 -58.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.12 -24.14 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.591 HG23 HG13 ' A' ' 43' ' ' VAL . 31.8 mt -81.12 -67.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 18' ' ' THR . 1.0 OUTLIER -35.97 -44.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -57.99 -56.83 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -58.06 -28.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' ' 89' ' ' ASP . 53.5 mt -71.16 -31.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -18.77 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 11.9 mtt180 -92.36 -17.05 25.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.94 -52.1 68.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.95 0.76 8.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -122.73 7.98 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.83 155.06 41.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 170.99 19.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.39 6.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.541 1.811 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.19 -42.17 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -94.53 -32.53 13.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.1 tttm -56.03 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -40.31 -52.89 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -68.39 -44.44 75.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 31.2 tpp -55.5 -56.02 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG13 ' CE1' ' A' ' 90' ' ' PHE . 42.4 t -51.68 -22.07 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.43 -34.88 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.18 -41.24 88.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.665 HG12 HD12 ' A' ' 47' ' ' LEU . 33.9 t -67.87 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.04 -31.01 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -58.34 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.86 -28.29 49.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.665 HD12 HG12 ' A' ' 43' ' ' VAL . 13.7 mt -70.33 -61.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.9 pt-20 -55.87 -32.04 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.9 mm-40 -65.23 -30.61 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.8 -26.28 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -55.45 -41.97 73.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.47 -37.4 85.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -62.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 80' ' ' LYS . 1.3 mt -47.8 -33.75 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 mt-10 -70.45 -53.0 18.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -63.34 -47.74 80.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.3 mtm -54.99 -44.23 74.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.28 -34.12 65.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -74.53 -7.19 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.8 mm-40 -106.57 -51.13 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.715 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.06 -25.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.89 -34.43 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.86 -23.77 38.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.748 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -62.59 142.54 96.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 164.64 32.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.62 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.75 -14.0 18.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -123.13 6.73 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.63 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.48 -63.62 1.69 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -76.96 -59.7 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.715 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -35.2 -35.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.064 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -69.91 -63.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.91 -39.82 78.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.27 -47.25 86.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -34.63 38.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -13.81 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.28 -54.36 3.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.8 m-85 -44.19 -46.05 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.674 ' HG3' HD13 ' A' ' 54' ' ' LEU . 12.5 mttm -60.76 -39.5 88.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -65.77 -49.62 67.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.47 ' CG ' ' HB ' ' A' ' 18' ' ' THR . 3.5 tp10 -57.95 -50.77 72.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 1.2 mmm -60.93 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 -33.07 1.76 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.86 -43.83 82.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.609 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -51.5 -36.32 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.95 -24.93 66.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -89.35 -62.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.435 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -48.97 -31.95 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CE1' HG13 ' A' ' 40' ' ' VAL . 4.8 t80 -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 95' ' ' ILE . 16.4 tttt -81.61 -32.2 32.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -81.13 5.56 16.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.442 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -111.54 -44.36 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -73.28 -3.45 27.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 91' ' ' LYS . 31.9 pt -94.78 27.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -109.04 144.33 37.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.81 -54.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -121.09 -171.86 14.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -44.28 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.561 1.821 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.73 130.2 31.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.1 p 178.43 -59.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.535 0.207 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -40.73 -56.77 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.9 -65.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.82 -67.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.861 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.9 t80 -41.51 -57.54 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.69 -52.53 8.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.7 -45.96 82.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.16 -68.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.861 HG21 ' CE1' ' A' ' 14' ' ' PHE . 25.6 p -38.87 -48.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.58 -66.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -34.99 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.718 HD11 ' HB3' ' A' ' 46' ' ' GLN . 94.5 mt -70.74 -63.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -39.55 -49.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 22' ' ' THR . 14.0 m -56.29 -55.02 38.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -56.14 -35.59 67.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.671 HD12 HD23 ' A' ' 86' ' ' LEU . 63.8 mt -63.73 -34.7 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.44 59.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -20.35 18.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.79 -50.82 75.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 1.31 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -125.21 17.07 8.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.19 157.17 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.02 169.33 22.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.76 -32.04 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.05 -22.18 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 41.2 tttt -67.73 -58.48 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.48 -54.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' ASN . 31.8 mm-40 -66.19 -46.68 76.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 36.0 tpp -54.48 -50.59 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 t -56.27 -20.08 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 -39.04 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.3 t30 -57.92 -33.29 68.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 47' ' ' LEU . 20.8 t -75.93 -31.45 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -60.24 2.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HB3' HD11 ' A' ' 21' ' ' ILE . 2.1 mp0 -51.43 -28.06 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.53 HD12 HG12 ' A' ' 43' ' ' VAL . 15.9 mt -71.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.7 pt-20 -54.3 -33.9 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.2 mt-10 -64.9 -27.64 68.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.21 -25.23 18.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -57.74 -44.0 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.66 -35.33 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -61.48 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.626 HD21 ' CE2' ' A' ' 14' ' ' PHE . 2.3 mt -47.21 -31.9 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 59' ' ' LEU . 6.5 mt-10 -73.87 -46.54 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -68.88 -44.54 73.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.463 ' HE2' HD23 ' A' ' 54' ' ' LEU . 29.5 mtm -60.25 -41.1 92.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -76.24 -35.62 58.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 55' ' ' GLU . 23.9 mt -74.74 -3.51 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.7 mm-40 -110.87 -51.83 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.48 -24.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 60' ' ' GLU . 12.5 mtt180 -61.78 -52.45 64.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.27 -32.14 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -50.01 142.18 13.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 164.57 33.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.4 7.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -100.64 -16.76 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLY . 6.7 t -114.08 -38.03 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -39.37 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -36.93 145.91 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.29 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.534 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -42.88 -43.18 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -64.83 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -43.89 -36.3 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 10.5 mtt-85 -73.99 -52.45 12.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -39.73 -44.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -45.3 85.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -58.64 -60.97 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.3 m-85 -42.28 -63.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -56.48 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -46.39 -56.66 5.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.37 -59.21 5.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -67.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.6 -41.65 18.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -43.31 94.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.671 HD23 HD12 ' A' ' 25' ' ' ILE . 1.4 mt -53.32 -34.53 57.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.79 -15.63 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -98.93 -62.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -26.2 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -68.8 -44.97 72.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.3 pttt -78.47 -26.13 46.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -81.21 4.17 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.77 -37.78 4.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -76.6 -12.2 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 91' ' ' LYS . 23.6 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.512 0.196 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -39.97 -54.61 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -62.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -47.55 -64.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 18' ' ' THR . 44.6 t80 -47.52 -55.19 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -48.97 27.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.75 -39.67 80.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.38 -69.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.765 HG21 ' CE1' ' A' ' 14' ' ' PHE . 77.2 p -38.57 -50.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.75 -63.52 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.69 -35.26 30.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.684 HG22 ' CD1' ' A' ' 25' ' ' ILE . 38.9 mt -71.57 -66.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -37.98 -42.96 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -61.98 -52.01 65.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 11.0 mttm -60.69 -36.28 78.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.684 ' CD1' HG22 ' A' ' 21' ' ' ILE . 79.7 mt -63.97 -32.52 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.46 -16.18 56.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -93.22 -17.43 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.52 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.99 -51.65 69.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 0.52 8.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -124.33 19.16 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.15 156.35 54.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.06 170.13 21.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -97.77 -38.06 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -99.09 -30.24 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 43.7 tttm -58.05 -59.54 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.56 -55.62 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 1.9 mp0 -65.48 -44.98 85.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -55.59 -49.67 72.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 53.7 t -60.56 -15.74 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 -35.21 10.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLN . 18.7 t30 -62.71 -39.57 94.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.638 HG13 HG23 ' A' ' 21' ' ' ILE . 41.9 t -67.89 -33.6 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mt-10 -59.84 -32.54 70.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -58.07 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -52.64 -28.69 22.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 43' ' ' VAL . 17.4 mt -71.12 -62.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.54 -33.69 64.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.25 -24.85 67.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.26 -28.4 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -55.81 -47.84 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -58.62 -39.08 79.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -61.25 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.702 HD13 ' HG2' ' A' ' 80' ' ' LYS . 1.9 mt -44.51 -36.43 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.566 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -64.72 -61.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 37.0 mm-40 -55.22 -47.48 75.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 mtm -56.48 -47.73 78.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 80' ' ' LYS . 38.5 t0 -69.54 -46.49 66.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 55' ' ' GLU . 11.0 mp -66.51 -10.04 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.3 mm-40 -102.19 -45.47 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.734 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -51.17 -22.54 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -66.74 -38.68 87.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -21.2 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.632 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.0 mt -69.31 140.63 90.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.632 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.02 161.91 37.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.29 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB3' HG23 ' A' ' 64' ' ' ILE . 6.1 t -81.74 -19.45 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 14.2 mtp180 -61.61 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.21 -102.95 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -60.34 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.734 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.13 -37.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -67.57 -60.72 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -58.72 -48.8 79.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -50.5 -47.29 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -44.91 68.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -22.23 64.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -86.94 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 19.0 m-85 -38.73 -58.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.702 ' HG2' HD13 ' A' ' 54' ' ' LEU . 7.1 mttt -50.69 -57.57 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.27 -57.81 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.57 -56.18 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.91 -71.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.82 -36.57 2.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -67.41 -45.79 75.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -50.31 -34.88 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.77 -26.68 67.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.433 HG22 ' HD3' ' A' ' 92' ' ' ARG . 1.3 m -87.37 -62.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.456 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -36.89 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.556 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.1 t80 -60.32 -46.39 90.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 1.2 tttt -67.8 -40.43 83.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.721 ' HA ' HD12 ' A' ' 95' ' ' ILE . 19.5 mtp85 -67.26 -37.87 84.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.45 ' OG ' HG22 ' A' ' 25' ' ' ILE . 3.2 m -58.72 -43.93 90.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -76.89 -13.52 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 92' ' ' ARG . 20.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 15.3 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.524 0.202 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 2.3 mp0 -38.27 -49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -44.63 -65.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.01 -58.0 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 54' ' ' LEU . 58.5 t80 -45.53 -63.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -50.37 8.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -44.8 86.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 12.9 mt -56.55 -73.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.6 p -37.94 -42.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.14 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.11 -29.44 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.685 HG23 HG13 ' A' ' 43' ' ' VAL . 62.2 mt -74.94 -62.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.05 -43.0 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 m -65.2 -60.27 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -51.52 -32.61 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.612 HD12 HD23 ' A' ' 86' ' ' LEU . 61.8 mt -66.78 -31.46 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -8.14 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -99.76 -18.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -54.51 -51.58 77.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.99 0.71 8.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -120.13 2.64 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' ARG . 30.3 mt -103.89 159.21 30.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.68 6.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 -49.4 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -85.47 -31.45 22.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 8.9 tttm -55.57 -58.89 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.42 -53.13 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ASN . 77.2 mm-40 -68.5 -47.16 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.4 tpp -52.98 -57.25 10.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.8 t -49.9 -23.18 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.28 -34.26 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.3 t30 -59.17 -43.61 92.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.685 HG13 HG23 ' A' ' 21' ' ' ILE . 25.4 t -65.4 -34.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 1.2 mt-10 -61.54 -20.53 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -88.06 -62.3 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.477 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.6 mp0 -51.21 -29.62 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.643 HD12 HG12 ' A' ' 43' ' ' VAL . 16.4 mt -70.24 -64.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.3 pt-20 -53.67 -33.66 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.54 -30.0 70.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -27.7 27.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.36 -32.17 71.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -58.37 -60.94 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.6 mt -43.9 -36.84 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 2.4 mt-30 -48.91 -45.26 41.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.563 ' HE2' HD23 ' A' ' 54' ' ' LEU . 14.3 mtm -53.66 -44.67 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.9 -42.06 28.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.67 -8.88 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.7 mm-40 -101.7 -53.93 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -43.33 -27.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -55.53 -41.95 73.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 60' ' ' GLU . 24.4 mt-10 -65.7 -44.13 87.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.704 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.6 mt -41.43 142.19 1.01 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.92 159.14 41.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.26 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.5 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 t -79.26 -27.79 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -49.43 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.8 -96.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.8 OUTLIER -54.95 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.645 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.29 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' MET . 4.2 t -71.71 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.79 -48.73 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 1.9 mmt180 -52.79 -53.0 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -41.85 -52.6 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.57 71.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -62.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 8.0 m-85 -37.6 -62.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.533 ' HG3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -45.79 -57.49 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -49.57 -47.43 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.72 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.6 mmm -44.91 -61.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.72 -34.03 9.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -73.71 -37.26 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.612 HD23 HD12 ' A' ' 25' ' ' ILE . 1.7 mt -58.27 -23.13 55.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -38.11 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -78.66 -67.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -35.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -62.56 -48.08 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.888 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.78 -19.54 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -86.48 1.81 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 p -109.46 -31.14 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -78.63 -18.9 53.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 91' ' ' LYS . 2.3 pt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.491 0.186 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.04 -54.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -44.64 -61.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.814 ' CE2' HD21 ' A' ' 54' ' ' LEU . 48.7 t80 -46.97 -50.87 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -54.83 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.64 -52.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.532 ' CD2' ' NE2' ' A' ' 46' ' ' GLN . 12.8 mt -50.63 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.763 HG21 ' CE1' ' A' ' 14' ' ' PHE . 20.3 p -40.4 -62.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.53 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.09 -48.84 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.864 HG23 HG13 ' A' ' 43' ' ' VAL . 99.0 mt -62.2 -58.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -37.65 -45.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.2 m -65.47 -56.46 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.37 -33.06 41.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 HD23 ' A' ' 86' ' ' LEU . 26.4 mt -65.7 -33.71 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.49 -15.67 58.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 mtt85 -93.03 -28.42 16.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -42.84 -50.94 12.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -23.36 13.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' ARG . 85.9 mtt180 -101.86 26.69 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.3 mt -123.9 159.19 57.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.1 Cg_endo -75.01 167.39 27.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.818 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -44.14 6.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.1 -29.98 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 30.1 tttt -56.25 -60.1 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.69 -53.26 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 42' ' ' ASN . 32.2 mm-40 -67.15 -44.15 80.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -57.24 -48.69 78.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 49.1 t -59.69 -16.3 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.39 -37.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLN . 17.9 t30 -60.74 -38.38 84.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.864 HG13 HG23 ' A' ' 21' ' ' ILE . 40.8 t -68.98 -34.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.3 mt-10 -58.61 -31.6 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.784 ' HB3' HD11 ' A' ' 21' ' ' ILE . 8.0 mm-40 -53.89 -32.14 52.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 86' ' ' LEU . 16.8 mt -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 6.7 pt-20 -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.6 mm-40 -66.47 -26.54 67.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.37 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.68 -45.92 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 15.7 pt-20 -62.89 -35.64 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -54.01 -59.25 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.814 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.7 mt -48.72 -34.03 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -54.73 21.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.91 -43.39 96.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.586 ' HE2' HD23 ' A' ' 54' ' ' LEU . 20.2 mtm -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.36 -8.13 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.0 mm-40 -106.48 -54.46 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -46.66 -26.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -58.95 -54.41 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -39.44 93.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.8 mt -44.28 141.7 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.03 164.86 32.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 2.24 6.81 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.767 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -101.47 -16.43 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 70' ' ' GLY . 35.9 t -115.98 -34.34 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' GLY . 4.5 ttt180 -39.64 -28.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -35.16 151.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 2.1 mmt 64.14 -66.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.627 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.74 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -62.3 -51.8 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.33 -41.4 79.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 75.7 mtt-85 -71.2 -40.31 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -44.34 29.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -72.62 -59.17 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -42.43 -44.51 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 4.3 m-85 -55.67 -62.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -43.05 -48.98 6.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -44.35 -53.76 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -59.16 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -54.16 -37.27 58.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 25' ' ' ILE . 5.7 mt -54.43 -28.77 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.29 -39.51 74.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -74.47 -65.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.22 -48.85 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.27 -43.77 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.831 ' O ' HG23 ' A' ' 95' ' ' ILE . 16.0 tttt -75.88 -31.05 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -80.9 4.71 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.425 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -111.31 -44.48 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.54 -29.53 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 91' ' ' LYS . 34.3 pt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' GLU . 9.7 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.521 0.2 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 8.2 mt-10 -38.0 -48.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -48.21 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.93 -56.61 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.664 ' CE1' HD21 ' A' ' 54' ' ' LEU . 69.3 t80 -51.46 -62.54 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.46 -52.16 10.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.24 -45.19 84.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 46' ' ' GLN . 11.8 mt -60.12 -64.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.661 HG21 ' CE2' ' A' ' 14' ' ' PHE . 32.0 p -40.89 -57.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 -66.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -43.38 -52.77 5.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.8 HD11 ' CB ' ' A' ' 46' ' ' GLN . 62.4 mt -54.7 -57.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -41.55 -48.96 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' THR . 4.9 m -58.26 -59.24 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 8.1 mttp -52.35 -37.86 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.74 ' CD1' HG22 ' A' ' 21' ' ' ILE . 58.8 mt -62.06 -28.69 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -13.67 44.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -95.28 -17.63 21.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.68 -51.84 72.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -120.59 9.43 10.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 mt -112.68 156.99 41.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 171.99 17.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 2.81 6.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -97.1 -41.69 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -96.78 -26.99 14.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 44.6 tttt -61.1 -50.98 71.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -51.79 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.2 mp0 -70.15 -44.11 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 32.4 tpp -56.37 -53.04 62.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.07 -19.46 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.24 -39.98 9.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.21 -37.25 69.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.78 HG13 HG23 ' A' ' 21' ' ' ILE . 44.7 t -71.68 -34.57 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.5 mm-40 -60.36 -30.21 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -59.38 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.8 ' CB ' HD11 ' A' ' 21' ' ' ILE . 10.0 mm-40 -52.5 -27.52 16.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 43' ' ' VAL . 18.6 mt -75.6 -60.19 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -58.39 -25.63 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.14 -30.41 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.27 -24.84 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -57.84 -40.36 79.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.86 -33.35 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -56.01 -58.81 6.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.664 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.8 mt -49.36 -33.9 14.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -50.96 46.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.66 -43.09 85.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.546 ' HE2' HD23 ' A' ' 54' ' ' LEU . 27.1 mtm -60.73 -40.88 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -74.85 -36.37 62.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.12 -6.91 45.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.91 -47.42 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.22 -24.97 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -61.18 -46.23 91.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.22 -34.51 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.718 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.7 mt -50.42 142.64 14.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 164.35 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -103.5 -24.73 13.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -104.67 -2.21 25.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.12 42.83 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.9 -79.35 0.85 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -64.68 -56.68 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.27 -55.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -48.4 -61.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.88 -47.81 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.1 mtt180 -52.01 -56.47 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mmt -40.4 -56.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -46.82 45.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.42 -66.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 17.4 m-85 -37.45 -60.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.527 ' HG2' HD13 ' A' ' 54' ' ' LEU . 9.6 mttm -46.93 -53.21 12.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -51.49 -60.84 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -60.05 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.07 -71.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.74 -34.75 3.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.84 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' HB3' HD21 ' A' ' 47' ' ' LEU . 2.6 mt -51.39 -31.49 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -33.25 72.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -83.01 -56.52 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -26.77 27.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.535 ' HA ' HG23 ' A' ' 25' ' ' ILE . 1.2 t80 -72.49 -45.52 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -69.66 -38.02 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.491 ' HA ' ' CG1' ' A' ' 95' ' ' ILE . 46.1 mtp180 -74.81 -0.81 19.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.497 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.35 -41.97 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.417 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 8.1 ptt85 -75.96 -22.84 55.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.603 HG23 ' O ' ' A' ' 91' ' ' LYS . 2.0 pp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.475 0.179 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 79' ' ' TYR . 1.5 mp0 -38.82 -52.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.51 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -42.86 -57.68 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.7 t80 -51.94 -58.46 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.69 -51.77 5.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 t -57.12 -46.76 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' CD ' ' A' ' 46' ' ' GLN . 13.3 mt -55.47 -70.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.777 HG21 ' CE1' ' A' ' 14' ' ' PHE . 18.3 p -38.74 -57.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.91 -68.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.93 -50.22 10.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.8 HD11 ' CB ' ' A' ' 46' ' ' GLN . 48.1 mt -56.12 -66.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -39.0 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -66.6 -53.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 10.2 mttt -57.78 -38.11 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.618 HD12 HD23 ' A' ' 86' ' ' LEU . 70.3 mt -61.79 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.07 -15.57 46.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.79 -19.65 20.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.74 -51.31 77.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.94 0.66 8.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -122.79 6.4 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.16 156.76 37.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.55 7.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.95 -45.98 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.62 -32.7 16.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 32.6 tttt -56.01 -58.25 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.48 -53.8 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 42' ' ' ASN . 41.4 mm-40 -67.5 -45.78 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.447 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 34.4 tpp -54.42 -54.82 35.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.0 t -51.29 -22.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.29 -36.46 12.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' GLN . 11.8 t-20 -60.34 -40.04 89.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG13 HG23 ' A' ' 21' ' ' ILE . 42.6 t -68.07 -36.56 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.3 mt-10 -56.51 -34.17 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.84 -57.36 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.8 ' CB ' HD11 ' A' ' 21' ' ' ILE . 12.4 mm-40 -53.39 -29.02 32.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 86' ' ' LEU . 17.2 mt -73.18 -58.4 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.19 -35.82 78.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.77 -29.57 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.26 -26.96 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.31 -39.35 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.46 -31.6 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.236 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -60.0 -61.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.651 HD21 ' CE2' ' A' ' 14' ' ' PHE . 2.7 mt -45.54 -35.51 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.66 ' O ' HD23 ' A' ' 59' ' ' LEU . 28.5 mt-10 -69.11 -62.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.2 -44.44 67.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.406 ' HE3' HD23 ' A' ' 54' ' ' LEU . 25.7 mtm -56.21 -48.11 77.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 -42.99 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 55' ' ' GLU . 4.4 mm? -63.56 -12.28 31.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -102.09 -42.24 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.742 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -48.92 -23.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -50.16 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.9 -39.63 94.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.683 HG23 ' HD2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -49.35 141.5 11.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.683 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.97 166.65 28.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.87 7.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.32 -20.23 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -119.32 17.05 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLY . 6.7 ttt180 -100.45 -35.89 9.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -35.01 -48.19 0.74 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -65.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.742 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -44.19 -55.68 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.43 -53.68 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -55.67 -37.99 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.4 mtt-85 -65.7 -45.67 81.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.496 ' O ' ' CE ' ' A' ' 80' ' ' LYS . 65.1 mmm -62.6 -32.54 73.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -81.34 -23.48 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -50.86 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' OH ' ' CG ' ' A' ' 11' ' ' GLU . 10.4 m-85 -46.06 -54.49 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -47.3 -48.55 25.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -49.06 -55.15 12.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.91 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -63.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.53 -42.61 44.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -43.0 96.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.719 HD22 HG22 ' A' ' 21' ' ' ILE . 4.4 mt -52.13 -31.99 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -35.81 71.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -77.19 -63.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.467 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -43.49 -44.43 5.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.72 -43.5 76.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.773 ' O ' HG23 ' A' ' 95' ' ' ILE . 13.9 tttp -75.74 -32.08 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mtp180 -82.67 3.69 27.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.44 -40.97 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -77.53 0.2 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.773 HG23 ' O ' ' A' ' 91' ' ' LYS . 31.5 pt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.2 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.535 0.207 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -38.65 -53.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -44.0 -54.79 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -55.96 28.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 90.2 t80 -49.39 -55.92 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -60.28 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -50.33 -34.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 14.6 mt -69.79 -50.44 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -64.15 -11.38 29.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.62 -53.25 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.32 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.921 HG23 HG13 ' A' ' 43' ' ' VAL . 82.7 mt -53.22 -56.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -44.58 -54.72 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.532 ' N ' HG22 ' A' ' 22' ' ' THR . 45.6 m -52.8 -58.46 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 6.1 mttp -54.05 -36.68 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.845 ' CD1' HG22 ' A' ' 21' ' ' ILE . 69.4 mt -64.32 -32.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.41 -10.61 58.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -98.38 -21.82 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.14 -49.78 82.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 1.28 7.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -127.62 21.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.9 mt -122.09 158.95 53.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 169.79 21.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.92 -39.44 8.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -95.66 -28.42 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -60.49 -57.86 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -56.9 1.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -62.85 -49.0 76.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.485 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 39.1 tpp -52.44 -51.36 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.7 t -55.08 -21.17 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.73 -40.6 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.24 -43.61 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.921 HG13 HG23 ' A' ' 21' ' ' ILE . 38.9 t -65.56 -38.81 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mm-40 -58.71 -19.18 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -63.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.642 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.7 mp0 -50.23 -33.28 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 43' ' ' VAL . 18.6 mt -66.35 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.8 pt-20 -51.62 -31.79 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.5 mt-10 -66.88 -31.31 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.3 -27.24 29.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.39 -38.77 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -63.5 -50.56 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -53.4 -35.14 60.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.22 -61.2 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 3.1 mm-40 -62.18 -39.17 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.463 ' HE3' HD23 ' A' ' 54' ' ' LEU . 12.0 mtm -59.71 -50.36 74.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.91 -19.73 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.62 5.4 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.5 mm-40 -116.58 -42.24 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.714 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 2.0 t -47.02 -26.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -61.86 -36.33 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' GLU . 5.2 mm-40 -75.16 -41.11 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.733 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.8 mt -40.16 142.77 0.68 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.2 8.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.66 -30.1 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -94.96 -30.35 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -62.45 -175.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.15 -78.65 0.26 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -49.62 73.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.714 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -39.71 -42.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 t -66.87 -55.29 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -51.76 -23.25 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -90.32 -40.09 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -35.48 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -49.44 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -45.29 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -44.45 -59.2 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -42.25 -46.17 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mmm -49.35 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.98 -33.7 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -72.37 -41.07 66.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.86 -25.11 18.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -40.26 69.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -72.86 -67.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.41 -39.48 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.598 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -59.36 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -70.97 -26.51 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' HA ' HG12 ' A' ' 95' ' ' ILE . 11.3 mtp180 -84.52 -1.49 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.448 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.67 -34.27 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.437 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -76.59 -24.14 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.524 0.202 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.83 -51.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.36 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -42.49 -62.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.831 ' CE1' HG21 ' A' ' 18' ' ' THR . 49.3 t80 -50.26 -56.54 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -54.13 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 7.5 t -56.31 -52.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.19 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.831 HG21 ' CE1' ' A' ' 14' ' ' PHE . 81.0 p -38.95 -37.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -63.34 -67.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -49.44 -34.79 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.673 HG23 HG13 ' A' ' 43' ' ' VAL . 93.7 mt -65.86 -64.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -39.67 -49.46 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' CG2' ' A' ' 22' ' ' THR . 20.2 m -55.06 -58.96 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' VAL . 26.1 mttt -52.51 -44.29 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.517 ' CD1' HG22 ' A' ' 21' ' ' ILE . 66.8 mt -54.29 -23.0 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -91.4 -24.05 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.94 -7.0 44.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -66.02 -50.24 52.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -31.02 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ARG . 20.0 mt -67.79 160.28 74.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.52 16.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.25 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 83.3 m-20 -101.27 -40.8 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.54 -24.54 17.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.5 tttm -63.06 -57.31 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.4 -58.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.4 mp0 -61.71 -47.93 83.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.4 tpp -54.09 -47.53 71.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 43.9 t -60.49 -17.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.84 -38.23 9.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.77 -34.07 73.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.685 HG12 HD12 ' A' ' 47' ' ' LEU . 30.3 t -73.71 -33.71 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -57.77 -35.84 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.32 -57.02 4.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.4 mp0 -52.82 -30.28 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 HG12 ' A' ' 43' ' ' VAL . 18.2 mt -75.1 -57.38 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -60.85 -27.14 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.4 -29.05 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -87.03 -31.1 20.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -53.05 -45.66 68.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 8.9 pt-20 -63.01 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -52.71 -58.21 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.665 HD21 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -48.58 -34.68 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.462 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.59 -61.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLU . 23.6 mm-40 -55.87 -48.31 75.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.413 ' CE ' HD23 ' A' ' 54' ' ' LEU . 37.0 mtm -54.11 -50.92 65.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.69 -55.75 23.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 55' ' ' GLU . 8.1 mp -61.8 -13.78 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 tt0 -92.56 -59.48 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.639 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -40.75 -29.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' GLU . 1.8 mtp180 -55.16 -47.51 75.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -63.69 -41.16 98.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.66 HG23 ' HD2' ' A' ' 65' ' ' PRO . 6.1 mt -46.31 141.74 4.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.07 167.17 27.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -102.1 -4.52 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ARG . 47.2 t -128.98 -42.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HG2' HG13 ' A' ' 61' ' ' VAL . 3.9 mtp180 -38.02 -36.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -38.57 137.04 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER 81.26 -53.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.639 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -53.96 -60.8 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.8 t -44.7 -56.66 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -50.03 -42.42 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.09 -41.64 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.9 mmm -58.76 -33.69 70.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -77.6 -22.29 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.16 -53.69 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 6.1 m-85 -41.58 -61.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -40.37 -51.85 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -45.83 -58.89 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.7 OUTLIER -65.71 -59.77 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -62.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.62 -34.77 36.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.5 tttt -71.14 -37.39 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HB3' HD21 ' A' ' 47' ' ' LEU . 2.8 mt -58.66 -24.73 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -33.21 64.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.407 ' C ' ' N ' ' A' ' 90' ' ' PHE . 1.2 m -82.87 -63.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.35 -27.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' THR . 1.8 t80 -74.7 -45.34 44.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.823 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -72.28 -30.06 64.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.403 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 10.2 mtp180 -83.6 -1.95 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.6 p -105.14 -39.97 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -72.02 -18.92 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 91' ' ' LYS . 25.1 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.1 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.458 0.17 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.23 -40.32 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -57.94 -60.7 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -52.7 55.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.657 ' CE1' HD21 ' A' ' 54' ' ' LEU . 78.4 t80 -55.54 -55.66 29.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.17 -52.69 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.14 -46.74 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 17' ' ' LEU . 13.4 mt -56.56 -66.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.461 HG21 ' CZ ' ' A' ' 14' ' ' PHE . 16.8 p -41.06 -64.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.9 10.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -55.96 25.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.622 HD11 ' HB3' ' A' ' 46' ' ' GLN . 74.6 mt -53.24 -61.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -38.57 -45.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ALA . 42.5 m -58.56 -62.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -51.34 -29.52 15.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.661 HD12 HD23 ' A' ' 86' ' ' LEU . 75.6 mt -73.55 -30.25 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -88.0 -5.55 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' LEU . 26.2 mtt180 -106.82 -13.4 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.739 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -56.43 -51.82 78.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.06 1.6 7.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -115.8 -9.87 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 43.0 mt -97.9 159.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 173.86 13.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.67 6.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.793 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.55 -43.79 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.5 -35.79 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 5.6 tttm -51.45 -58.66 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.6 tttp -40.0 -57.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -54.83 -50.1 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.739 ' HG2' HG23 ' A' ' 28' ' ' VAL . 2.5 ttm -57.7 -40.09 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 74.7 t -68.69 -8.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -104.68 -41.99 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -58.73 -38.05 77.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.736 HG12 HD12 ' A' ' 47' ' ' LEU . 25.8 t -67.92 -39.76 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -52.43 -31.11 32.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -66.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.622 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.7 mp0 -40.08 -32.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.736 HD12 HG12 ' A' ' 43' ' ' VAL . 33.6 mt -72.34 -59.11 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.57 -24.93 58.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -72.48 -56.44 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -34.06 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -43.48 -40.6 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 4.6 pt-20 -66.91 -42.07 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -48.78 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.7 mt -45.1 -35.19 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -64.83 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -51.11 -43.51 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.499 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 26.2 mtm -58.96 -41.99 88.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.44 -43.64 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' GLU . 10.8 mp -65.91 -11.28 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.4 mm-40 -102.39 -46.75 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.704 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.46 -25.78 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.22 -46.5 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -66.28 -42.24 88.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.723 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.0 mt -42.48 142.57 1.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.03 164.99 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.95 8.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -101.45 -29.98 11.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.439 ' HB3' HG23 ' A' ' 64' ' ' ILE . 1.4 t -94.62 -33.88 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 10.6 mtp180 -58.24 -27.88 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.6 -39.52 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -56.89 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.704 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -46.82 -39.33 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 75' ' ' ARG . 13.6 t -68.58 -61.45 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -42.12 -28.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 12.9 mtt180 -82.4 -47.23 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.499 ' HE3' ' HB3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.35 -31.87 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.49 -38.62 87.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -55.15 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 16.6 m-30 -39.48 -62.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.87 -50.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -58.78 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -60.56 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -64.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.77 -34.34 36.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.437 1.086 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -68.72 -43.51 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.369 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -51.34 -30.89 20.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -28.28 65.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -84.84 -67.82 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.16 -40.87 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.7 t80 -56.62 -42.95 79.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.3 -31.3 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 18.1 mtp180 -77.67 -0.12 25.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.439 ' OG ' HG11 ' A' ' 28' ' ' VAL . 3.0 p -108.2 -43.98 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' HG11 ' A' ' 28' ' ' VAL . 18.8 ptt85 -71.52 -8.48 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.84 HG23 ' O ' ' A' ' 91' ' ' LYS . 40.5 pt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.519 0.199 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.9 mp0 -38.2 -53.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -45.16 -62.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -55.1 25.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.739 ' CE2' HD21 ' A' ' 54' ' ' LEU . 45.7 t80 -50.34 -65.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.92 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.09 -43.26 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' PHE . 10.6 mt -57.39 -65.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' ALA . 25.4 p -41.47 -67.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . . . -39.99 -59.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.37 -51.25 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.717 HG23 HG13 ' A' ' 43' ' ' VAL . 34.4 mt -54.41 -63.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -38.7 -48.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.39 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ALA . 47.6 m -53.16 -66.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -46.99 -37.73 9.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.674 ' CD1' HG22 ' A' ' 21' ' ' ILE . 80.2 mt -66.51 -37.73 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.53 -12.33 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -97.96 -18.98 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.796 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -51.94 -50.8 76.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 2.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -128.67 21.24 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 38.7 mt -126.13 159.44 62.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.74 -50.17 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.43 -32.85 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -53.71 -59.2 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.59 -56.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -57.47 -51.38 69.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.796 ' HG2' HG23 ' A' ' 28' ' ' VAL . 2.6 ttm -55.77 -40.98 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 78.8 t -70.05 -7.29 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.14 -47.45 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -53.68 -40.08 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.717 HG13 HG23 ' A' ' 21' ' ' ILE . 55.5 t -65.78 -40.39 87.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -55.89 -26.86 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -57.65 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -52.37 -28.3 18.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 47' ' ' LEU . 17.8 mt -70.51 -63.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.0 pt-20 -53.05 -32.11 45.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.76 -29.52 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.61 -27.36 23.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -57.93 -37.97 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -31.51 69.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -57.82 -55.61 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.739 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.1 mt -52.13 -33.61 40.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -65.76 -54.64 24.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -63.28 -48.61 77.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.8 mtm -54.29 -45.12 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -71.58 -36.91 71.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -70.55 -7.54 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -107.95 -43.0 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.648 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.52 -22.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -61.23 -44.95 96.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.83 -30.23 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.724 HG23 ' HD2' ' A' ' 65' ' ' PRO . 7.3 mt -54.29 142.4 49.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.06 162.99 36.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.27 -23.66 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 t -105.64 -44.46 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.45 ' CD ' HG13 ' A' ' 61' ' ' VAL . 6.9 mtp180 -44.14 -32.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.96 0.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -60.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.648 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -46.22 -47.8 17.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 t -52.3 -56.89 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.31 -38.46 19.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.569 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.26 -48.18 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -42.95 -58.32 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -51.48 42.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -63.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 8.2 m-85 -38.17 -64.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.25 -56.34 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -48.8 -58.31 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.88 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 mmm -44.51 -60.69 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.63 -35.03 15.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -41.38 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.1 -28.73 26.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -24.97 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -91.1 -62.52 1.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -47.67 -34.13 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.542 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.0 t80 -62.69 -42.77 99.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.825 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -77.69 -27.82 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 9.6 mtp180 -80.87 1.04 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.596 ' OG ' HG11 ' A' ' 28' ' ' VAL . 1.5 p -106.66 -46.15 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -67.94 -24.3 65.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 91' ' ' LYS . 47.4 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 9.5 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.479 0.18 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -42.42 -52.05 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.64 -65.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.85 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' A' ' 18' ' ' THR . 91.3 t80 -40.5 -62.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.58 -55.37 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -53.68 -38.17 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.43 -66.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.658 HG21 ' CE2' ' A' ' 14' ' ' PHE . 80.4 p -38.93 -45.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.53 -61.67 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -28.38 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.568 HG23 HG13 ' A' ' 43' ' ' VAL . 45.2 mt -78.85 -65.17 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.75 -46.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.1 m -61.46 -55.49 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 17.2 mttm -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.713 HD12 HD23 ' A' ' 86' ' ' LEU . 65.9 mt -58.29 -32.6 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.15 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.0 mtm180 -88.48 -32.49 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.492 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -37.89 -53.25 2.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -29.59 8.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 32.0 mtt180 -95.04 31.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 47.4 mt -129.86 159.68 68.72 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.97 168.6 24.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.72 7.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.69 -33.03 9.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.58 -21.5 14.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 18.7 tttm -64.33 -57.27 9.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -57.51 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ASN . 25.1 mm-40 -59.28 -43.74 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.489 ' HG3' HG23 ' A' ' 28' ' ' VAL . 30.0 tpp -61.14 -39.62 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.6 t -76.12 -1.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.42 -36.27 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' GLN . 9.9 t-20 -66.39 -44.24 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.568 HG13 HG23 ' A' ' 21' ' ' ILE . 39.1 t -61.43 -36.96 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -54.34 -19.22 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -58.89 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.71 -31.12 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.488 HD12 HG12 ' A' ' 43' ' ' VAL . 17.8 mt -68.82 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.98 -28.66 24.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.49 -28.76 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.22 -27.64 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.06 -46.35 88.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.98 -36.38 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -54.1 -58.4 7.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.61 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.5 mt -50.95 -31.05 16.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.7 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.36 -51.14 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.501 ' HE2' HD23 ' A' ' 54' ' ' LEU . 32.5 mtm -55.05 -39.1 68.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.36 -49.43 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -8.87 46.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.18 -47.47 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.67 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.67 -23.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.14 -52.15 66.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 64' ' ' ILE . 5.0 pt-20 -62.34 -40.67 97.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.0 mt -42.42 142.57 1.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 163.04 36.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.05 -17.84 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -112.21 -24.99 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLY . 5.7 mtp180 -67.37 -28.82 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -37.4 -44.55 1.21 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.67 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -40.16 -50.81 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' ARG . 36.5 p -50.63 -69.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -41.67 -29.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -78.86 -51.25 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.83 -46.01 3.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.98 -47.12 87.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -58.97 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 11' ' ' GLU . 15.3 m-85 -47.82 -61.41 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -55.18 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -50.95 -55.27 18.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.98 -54.64 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.71 -68.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.84 -39.05 4.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 88' ' ' THR . 11.6 ttmt -67.1 -46.09 75.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.713 HD23 HD12 ' A' ' 25' ' ' ILE . 1.3 mt -49.32 -30.16 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -36.08 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' LYS . 1.3 m -81.63 -60.46 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.364 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -33.28 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.425 ' HA ' HG23 ' A' ' 25' ' ' ILE . 4.8 t80 -66.79 -46.74 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -74.81 -20.8 59.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.404 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 4.9 mtp180 -88.85 -0.27 57.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.8 p -107.22 -37.93 6.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 25.4 ptt180 -76.76 -2.38 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 91' ' ' LYS . 24.2 pt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.435 ' HB3' HD23 ' A' ' 53' ' ' LEU . 14.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.482 0.182 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.94 -53.15 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.2 tt0 -44.04 -68.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -65.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.794 ' CE2' HG21 ' A' ' 18' ' ' THR . 54.2 t80 -44.34 -49.73 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -51.73 -57.04 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.85 -42.41 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' OE1' ' A' ' 46' ' ' GLN . 10.8 mt -62.41 -72.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.794 HG21 ' CE2' ' A' ' 14' ' ' PHE . 41.7 p -38.56 -38.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.36 -68.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -45.02 -28.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.789 HD11 ' CB ' ' A' ' 46' ' ' GLN . 54.3 mt -78.86 -56.43 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -44.77 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -65.34 -55.43 18.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -52.62 -38.38 60.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.626 HD12 HD23 ' A' ' 86' ' ' LEU . 52.3 mt -62.65 -33.33 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.8 -8.94 59.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.9 mtt180 -101.71 -21.12 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.86 -51.04 77.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -123.05 9.1 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.0 mt -109.61 153.72 42.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.37 -39.0 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -99.11 -29.17 13.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.9 tttt -59.53 -57.69 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.48 -54.84 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -67.33 -48.65 66.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -51.79 -55.24 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 47.8 t -49.99 -25.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.78 -41.04 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -56.46 -33.54 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 47' ' ' LEU . 17.8 t -75.66 -42.63 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.8 mt-10 -48.82 -32.53 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -69.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.789 ' CB ' HD11 ' A' ' 21' ' ' ILE . 19.9 mm-40 -38.68 -33.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 43' ' ' VAL . 44.2 mt -70.62 -62.38 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 5.4 pt-20 -53.82 -23.95 13.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.32 -55.96 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -60.12 -63.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -44.85 -39.46 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -52.1 -62.7 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.746 HD13 ' HG2' ' A' ' 80' ' ' LYS . 3.4 mt -42.32 -36.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -55.9 18.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.62 -43.01 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.548 ' HE2' HD23 ' A' ' 54' ' ' LEU . 32.7 mtm -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -77.61 -34.72 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.59 -3.83 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.35 -50.02 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.636 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 1.3 t -52.33 -23.37 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -49.34 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.54 -28.29 66.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.722 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.6 mt -57.27 142.06 76.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.97 162.81 36.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.12 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -35.48 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' ARG . 46.3 t -89.71 -45.6 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -37.23 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 40.78 -94.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -57.43 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.771 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.636 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.42 -47.89 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -55.3 -49.77 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' ARG . 2.6 m-20 -69.67 -58.61 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -44.29 -27.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -40.48 70.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -63.89 -28.59 69.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -80.95 -54.4 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.058 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 75' ' ' ARG . 20.9 m-85 -47.81 -65.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.746 ' HG2' HD13 ' A' ' 54' ' ' LEU . 9.7 mttt -45.99 -49.19 16.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -53.14 -62.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -53.2 51.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.87 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.45 -39.77 3.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -67.38 -45.27 76.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.626 HD23 HD12 ' A' ' 25' ' ' ILE . 1.6 mt -50.78 -30.57 14.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -37.02 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.6 m -80.75 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -42.1 -33.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -64.52 -47.97 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.878 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.92 -31.6 63.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -78.23 2.62 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -30.61 8.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -13.24 41.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.878 HG23 ' O ' ' A' ' 91' ' ' LYS . 1.6 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.536 0.207 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.49 -50.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -43.68 -65.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -48.92 -62.83 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.799 ' CE2' HD21 ' A' ' 54' ' ' LEU . 60.9 t80 -45.2 -58.7 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -51.78 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.0 t -56.98 -43.53 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 7.7 mt -58.58 -66.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.72 HG21 ' CE1' ' A' ' 14' ' ' PHE . 41.1 p -41.96 -58.35 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 22' ' ' THR . . . -49.89 -60.58 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.47 -49.35 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.625 HD11 ' CB ' ' A' ' 46' ' ' GLN . 85.1 mt -59.14 -63.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -37.63 -42.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.2 m -62.63 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -49.9 -31.17 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 86' ' ' LEU . 66.1 mt -70.99 -34.76 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -84.63 -1.83 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -111.65 -16.41 13.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.676 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -53.47 -51.82 72.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.0 1.23 7.97 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.42 22.95 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD12 ' SD ' ' A' ' 39' ' ' MET . 48.0 mt -127.72 160.28 61.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -100.89 -47.96 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -82.86 -34.65 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 3.1 tttm -51.95 -57.95 7.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.68 -62.28 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -49.79 -55.64 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.676 ' HG2' HG23 ' A' ' 28' ' ' VAL . 3.9 ttm -54.41 -38.32 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.3 t -72.52 -4.99 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.0 -48.58 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -53.32 -38.73 63.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.705 HG12 HD12 ' A' ' 47' ' ' LEU . 35.0 t -66.76 -44.65 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -48.5 -28.32 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -68.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.625 ' CB ' HD11 ' A' ' 21' ' ' ILE . 15.1 mm-40 -38.91 -35.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.705 HD12 HG12 ' A' ' 43' ' ' VAL . 44.4 mt -69.37 -60.35 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 4.9 pt-20 -55.5 -23.56 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.68 -57.0 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -58.2 -27.43 63.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -56.97 -40.34 76.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.43 -30.65 69.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -61.63 -59.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.799 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.0 mt -45.11 -35.92 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.645 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.0 -61.46 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 64.7 mm-40 -58.96 -41.96 88.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.576 ' HE3' HD23 ' A' ' 54' ' ' LEU . 17.3 mtm -58.09 -47.89 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.06 -43.34 62.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 55' ' ' GLU . 9.3 mp -64.56 -12.15 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.9 mm-40 -101.38 -58.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.12 -27.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -35.83 79.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.69 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.4 mt -59.57 141.5 88.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.99 164.92 32.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -108.43 -11.62 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 -2.43 9.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.57 45.34 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -87.65 123.49 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER 78.98 -54.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.85 -31.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' MET . 8.1 t -75.68 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -51.53 -37.31 48.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.552 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -61.89 -53.09 60.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -54.77 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -52.72 -20.32 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.7 -60.59 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 12.0 m-85 -39.3 -56.41 1.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HG2' HD13 ' A' ' 54' ' ' LEU . 8.1 mttm -53.93 -51.52 63.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -48.81 -57.66 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -58.4 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.43 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.74 -46.96 4.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' THR . 4.0 mttt -61.86 -48.15 81.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.694 HD23 HD12 ' A' ' 25' ' ' ILE . 1.4 mt -47.51 -33.75 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.9 -38.02 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.4 m -73.43 -67.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -40.78 -45.2 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -55.38 -44.5 76.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -81.54 -17.73 47.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' THR . 5.2 mtt180 -94.72 0.01 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ASP . 15.4 p -103.93 -35.61 8.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -71.7 -15.84 62.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 91' ' ' LYS . 4.0 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' GLU . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.419 0.152 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 6.5 mt-10 -38.79 -52.11 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -47.65 -67.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -62.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.729 ' CE1' HG21 ' A' ' 18' ' ' THR . 38.5 t80 -49.83 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.81 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.68 -36.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.8 mt -71.66 -64.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.729 HG21 ' CE1' ' A' ' 14' ' ' PHE . 28.2 p -38.43 -47.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.44 -52.09 64.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.42 -36.82 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 mt -71.13 -60.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -40.7 -42.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 m -60.09 -58.28 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -54.14 -37.1 64.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.722 HD12 HD23 ' A' ' 86' ' ' LEU . 57.1 mt -60.93 -23.58 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.45 -20.2 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -97.23 -8.55 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' OG ' ' A' ' 93' ' ' SER . 0.9 OUTLIER -65.73 -50.13 56.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.11 8.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.21 -31.81 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 17.5 mt -67.21 158.66 80.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.95 174.14 13.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 3.21 5.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -96.61 -48.2 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 71.2 tttt -54.75 -58.58 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.75 -55.18 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -66.48 -47.14 74.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.6 tpp -53.43 -53.51 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 37.7 t -53.49 -21.68 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.36 -40.86 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -55.43 -35.98 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.762 HG12 HD12 ' A' ' 47' ' ' LEU . 5.7 t -72.72 -38.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 1.7 mt-10 -54.12 -29.01 43.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -68.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 62.8 mm-40 -42.81 -32.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 43' ' ' VAL . 27.6 mt -70.53 -52.26 23.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.2 -27.28 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.01 -57.02 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -59.55 -38.18 80.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -41.33 -40.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLU . 1.9 tt0 -65.88 -46.13 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -45.53 -57.27 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.4 mt -51.66 -33.1 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.31 -51.15 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -66.09 -45.67 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.495 ' HE2' HD23 ' A' ' 54' ' ' LEU . 30.7 mtm -58.61 -38.38 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.24 -35.32 48.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -74.24 -4.06 33.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.49 -44.1 3.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 72' ' ' TYR . 1.4 t -56.3 -18.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -51.54 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.76 -36.67 84.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -47.04 142.82 4.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 164.93 32.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.442 1.759 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.37 7.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -95.87 -40.55 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.13 -43.18 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.78 -30.36 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.34 -35.69 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.59 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -42.38 -46.78 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.3 m -52.08 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.1 t-20 -39.9 -44.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 4.8 mmt180 -69.56 -56.06 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.85 -54.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -48.73 41.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 22.9 m-85 -41.58 -64.19 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -43.83 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -59.31 -58.03 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.93 -56.71 17.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -64.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.3 -38.47 19.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -43.37 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 25' ' ' ILE . 3.8 mt -51.79 -27.39 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -42.35 59.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -75.37 -60.85 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.28 -32.06 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 1.7 t80 -70.14 -46.61 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.791 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.3 pttp -68.55 -24.53 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -3.36 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.556 ' OG ' HG11 ' A' ' 28' ' ' VAL . 5.7 p -102.33 -39.83 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -71.22 -12.79 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 91' ' ' LYS . 17.5 pt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ASP . 18.0 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.442 0.163 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' CD ' ' CZ ' ' A' ' 72' ' ' TYR . 1.5 mp0 -37.85 -53.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -43.76 -44.87 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -74.36 -39.72 62.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 53.0 t80 -59.17 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -51.44 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.11 -33.65 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.25 -67.97 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -41.81 -54.1 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.71 -42.8 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.656 HG22 HD22 ' A' ' 86' ' ' LEU . 91.9 mt -61.47 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.76 -44.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.0 m -59.89 -57.69 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -53.46 -40.1 65.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.807 HD12 HD23 ' A' ' 86' ' ' LEU . 65.6 mt -60.21 -33.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.63 -13.0 58.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -98.64 -20.59 16.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.02 -51.91 66.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 1.48 7.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -123.48 8.65 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.6 mt -108.54 160.21 28.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.04 168.74 24.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -35.64 9.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -99.46 -26.35 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 35.2 tttt -62.25 -57.9 9.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.6 -57.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' ASN . 82.0 mm-40 -61.36 -45.91 92.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.7 tpp -56.47 -46.6 80.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.8 t -62.69 -13.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -101.79 -35.67 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.4 t-20 -63.93 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 47' ' ' LEU . 15.1 t -66.38 -36.43 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.1 mt-10 -54.45 -39.61 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -55.79 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.513 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.9 mp0 -54.8 -26.62 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.5 mt -73.43 -60.63 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.1 -27.33 61.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.48 -34.9 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.9 -29.63 50.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -58.02 -55.76 30.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.62 -28.82 66.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD22 ' SD ' ' A' ' 57' ' ' MET . 2.2 mt -57.87 -64.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 88.9 mt -43.01 -37.71 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.881 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.29 -43.33 67.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.3 mm-40 -77.71 -55.42 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.805 ' SD ' HD22 ' A' ' 53' ' ' LEU . 3.0 mpp? -49.36 -35.38 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' HE3' ' A' ' 76' ' ' MET . 5.6 t0 -81.72 -36.23 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 55' ' ' GLU . 4.3 mt -75.59 -2.14 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -111.4 -57.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.6 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.58 -26.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -47.39 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -17.11 61.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.734 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.2 mt -67.64 142.45 96.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.98 165.21 31.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 1.04 8.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.38 -21.26 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' GLY . 40.2 t -108.98 -39.45 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' SER . 3.5 ttt180 -37.31 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -37.7 134.18 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 80.61 -52.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -56.78 -45.41 82.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -58.05 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.63 -38.21 9.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 2.4 mmt180 -69.28 -59.98 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.46 ' HE3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -39.55 -34.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -61.62 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 0.0 110.359 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.43 -47.14 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 13.9 m-30 -45.26 -69.63 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -39.51 -50.1 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -58.66 -47.5 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -65.39 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.54 ' HG3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.55 -61.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.86 -48.24 45.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.39 -41.35 98.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.807 HD23 HD12 ' A' ' 25' ' ' ILE . 2.2 mt -52.01 -31.8 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -38.79 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -79.9 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -46.63 -38.58 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -58.07 -46.14 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.718 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -75.87 -31.28 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.401 ' HA ' HG12 ' A' ' 95' ' ' ILE . 3.5 mtt180 -78.67 3.35 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.6 p -110.26 -36.18 5.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -75.33 -20.81 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 6.4 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.532 0.206 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' TYR . 4.8 mp0 -38.96 -49.95 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.97 -64.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.43 -54.2 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CE1' HD21 ' A' ' 54' ' ' LEU . 70.6 t80 -52.16 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.89 -37.66 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -72.27 -44.61 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' A' ' 50' ' ' ALA . 12.0 mt -47.73 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 22' ' ' THR . 32.1 p -35.37 -68.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' THR . . . -40.2 -50.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.83 -52.84 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.677 ' CG2' HG13 ' A' ' 43' ' ' VAL . 33.2 mt -57.24 -65.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -35.86 -42.35 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ALA . 27.1 m -61.65 -62.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 12.2 mttt -51.6 -27.88 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 89' ' ' ASP . 50.3 mt -70.28 -31.32 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.47 -21.13 53.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.98 -17.13 26.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.03 -51.4 68.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 -14.64 20.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.463 1.77 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -102.89 6.97 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ARG . 26.8 mt -107.18 159.98 28.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.06 170.67 19.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.34 7.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -43.41 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.78 -29.95 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 6.9 tttm -59.73 -56.06 26.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -50.21 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -70.69 -43.81 68.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.406 ' SD ' ' HB3' ' A' ' 24' ' ' LYS . 31.0 tpp -56.54 -53.99 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 90' ' ' PHE . 37.9 t -53.52 -21.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 -35.92 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.23 -42.72 86.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 21' ' ' ILE . 24.2 t -66.03 -36.19 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -59.44 -27.92 66.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -81.09 -58.65 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.49 -30.01 38.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 86' ' ' LEU . 15.0 mt -68.07 -62.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 8.3 pt-20 -54.8 -32.06 59.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.8 mm-40 -66.14 -28.54 68.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -85.9 -29.99 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -39.11 64.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.94 -37.21 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -51.83 -65.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.679 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.5 mt -42.64 -35.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -70.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.5 mm-40 -48.98 -42.51 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.473 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 12.7 mtm -58.05 -47.65 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.73 -47.61 52.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.89 -14.15 31.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.6 mm-40 -97.61 -52.9 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -44.64 -28.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -34.09 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -21.87 42.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.737 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.7 mt -69.89 142.54 90.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 166.39 29.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -102.83 -19.0 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.401 ' HB3' HG23 ' A' ' 64' ' ' ILE . 1.4 t -116.51 10.83 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -30.1 12.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.07 -40.7 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -59.76 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -48.27 -55.22 11.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -54.58 14.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -49.54 -45.18 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -68.24 -47.31 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.473 ' HE3' ' HB3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -42.64 -53.45 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -32.73 72.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -67.36 -55.05 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 20.6 m-85 -49.53 -49.45 45.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HG3' HD13 ' A' ' 54' ' ' LEU . 34.1 mttt -55.86 -39.02 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -65.86 -42.13 90.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.78 -51.13 44.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 4.7 mmm -58.03 -65.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.32 -30.29 2.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -68.52 -43.68 76.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.608 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -51.13 -35.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.9 -19.22 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 85' ' ' LYS . 1.8 m -94.87 -59.0 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 2.8 m-20 -54.4 -24.62 20.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 8.8 t80 -78.5 -37.64 42.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 95' ' ' ILE . 2.1 tttp -85.19 -13.5 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -99.07 3.39 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.416 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -116.06 -38.4 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -76.53 0.16 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 91' ' ' LYS . 13.0 pt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' GLU . 35.7 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.473 0.178 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.6 mp0 -38.75 -50.37 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -50.55 -56.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.52 -59.46 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.684 ' CE2' HG21 ' A' ' 18' ' ' THR . 90.4 t80 -51.54 -53.22 40.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.88 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.64 -52.39 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.506 HD23 ' OE1' ' A' ' 46' ' ' GLN . 12.5 mt -50.83 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.684 HG21 ' CE2' ' A' ' 14' ' ' PHE . 24.4 p -42.77 -59.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.69 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -46.58 -51.05 16.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.764 HD11 ' HB3' ' A' ' 46' ' ' GLN . 58.7 mt -57.36 -60.86 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.49 -45.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ALA . 20.7 m -59.71 -62.07 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -50.16 -34.66 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.357 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 HD23 ' A' ' 86' ' ' LEU . 69.6 mt -63.39 -31.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -81.45 -17.95 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -92.97 -18.29 22.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.3 -52.2 68.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -121.91 14.8 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.96 156.76 47.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.77 15.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.62 8.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -98.4 -36.76 9.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.85 -28.56 13.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 16.4 tttm -57.77 -57.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -59.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.58 -42.4 83.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 35.2 tpp -62.16 -38.55 89.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 40' ' ' VAL . 73.5 t -73.95 -4.26 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.08 -37.35 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.603 HG13 HG23 ' A' ' 21' ' ' ILE . 18.8 t -66.25 -34.33 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 34.7 mm-40 -55.71 -33.27 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.71 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.764 ' HB3' HD11 ' A' ' 21' ' ' ILE . 15.4 mm-40 -50.32 -31.64 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD12 HG12 ' A' ' 43' ' ' VAL . 18.8 mt -71.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 51' ' ' ARG . 8.4 pt-20 -56.03 -36.25 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.42 -25.0 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.58 -32.68 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.439 ' CD ' ' HA ' ' A' ' 48' ' ' GLU . 1.6 mtt180 -48.6 -41.13 29.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 9.4 pt-20 -65.36 -41.62 93.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -50.8 -54.84 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.6 mt -54.31 -31.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.504 ' CD ' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -71.56 -53.95 12.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 41.3 mm-40 -64.24 -43.29 95.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.9 mtm -60.89 -40.49 93.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.06 -42.77 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.51 HD23 HH21 ' A' ' 62' ' ' ARG . 13.0 mt -65.69 -10.33 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 mm-40 -100.64 -51.58 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.586 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -49.61 -23.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.51 HH21 HD23 ' A' ' 59' ' ' LEU . 16.5 mtm180 -61.6 -52.6 63.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -63.24 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.715 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.7 mt -55.86 142.07 64.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 165.13 31.97 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.525 1.802 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 -17.1 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -114.32 -11.7 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 4.0 ttp180 -70.8 -19.83 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -38.92 144.46 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.1 -60.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.83 -41.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -68.39 -50.96 49.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.07 -24.78 64.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.9 mtm180 -84.07 -33.15 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.92 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -50.49 -30.4 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLN . 10.1 t -76.98 -63.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 21.2 m-85 -38.5 -37.5 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -48.48 41.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -50.55 -33.96 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -82.44 -53.97 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -63.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.84 64.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.64 -41.75 95.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD23 HD12 ' A' ' 25' ' ' ILE . 1.3 mt -54.13 -38.38 65.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -23.89 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -87.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.82 -36.45 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 2.8 t80 -64.53 -44.85 89.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.875 ' HA ' HD12 ' A' ' 95' ' ' ILE . 6.3 mtp180 -72.5 -32.07 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.229 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -65.24 -42.8 92.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -76.05 -13.23 60.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 92' ' ' ARG . 15.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.482 0.182 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.75 -57.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -39.76 -54.03 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.16 -58.7 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.846 ' CE2' HD21 ' A' ' 54' ' ' LEU . 59.7 t80 -49.56 -57.6 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.28 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.0 t -54.59 -47.57 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 50' ' ' ALA . 14.7 mt -53.29 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.636 HG21 ' CE1' ' A' ' 14' ' ' PHE . 35.4 p -39.15 -70.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.0 -53.41 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.57 -51.24 67.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.651 HG22 ' CD1' ' A' ' 25' ' ' ILE . 54.2 mt -57.73 -63.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -37.62 -41.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.0 m -62.17 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -47.19 -33.19 5.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.651 ' CD1' HG22 ' A' ' 21' ' ' ILE . 79.1 mt -67.5 -39.41 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -76.93 -10.61 59.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.23 -20.36 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.755 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -50.74 -50.49 73.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 2.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -129.87 34.96 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.527 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 52.2 mt -139.09 156.18 72.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 174.06 13.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 2.35 6.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 30.0 m-20 -100.55 -45.99 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.45 -35.81 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 22.6 tttt -52.44 -55.7 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.7 tptt -40.25 -60.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 5.3 mp0 -52.9 -53.11 53.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.755 ' HG2' HG23 ' A' ' 28' ' ' VAL . 1.9 ttm -54.8 -39.41 68.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 24.0 t -72.39 -5.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.75 -47.76 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -55.03 -39.29 68.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.666 HG12 HD12 ' A' ' 47' ' ' LEU . 35.5 t -65.83 -42.56 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -51.68 -28.39 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -85.6 -67.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.508 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.4 mp0 -38.81 -38.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 43' ' ' VAL . 48.2 mt -67.78 -57.03 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.22 -21.53 59.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 57.1 mm-40 -78.92 -57.41 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -59.17 -16.73 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.29 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 pt-20 -50.98 -30.01 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -61.38 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.846 HD21 ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -45.59 -35.56 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.72 -64.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -55.43 -44.36 76.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.626 ' HE2' HD23 ' A' ' 54' ' ' LEU . 22.0 mtm -57.31 -43.32 83.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.33 -46.28 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 55' ' ' GLU . 10.3 mp -60.98 -14.84 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -98.87 -49.15 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.659 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.93 -22.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -64.87 -53.0 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.53 -38.71 81.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -41.41 142.34 0.99 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 161.74 38.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.53 8.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -95.0 -30.59 14.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' GLY . 21.7 t -97.39 -36.84 10.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 5.1 mtp180 -57.4 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -129.57 -69.24 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' TYR . 10.6 mmt -72.53 -52.41 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.2 -48.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -54.44 -62.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.49 -47.57 57.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 13.1 mtm-85 -59.26 -50.07 75.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -48.81 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -58.76 -24.12 61.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -86.95 -62.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 10.6 m-85 -37.34 -58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -47.99 -59.32 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -43.17 -63.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.95 -59.21 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -67.0 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.31 -35.43 43.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -41.08 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 1.3 mt -55.09 -35.71 64.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.08 -19.57 66.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.416 HG22 ' HD3' ' A' ' 92' ' ' ARG . 1.6 m -93.2 -69.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.92 -31.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -63.21 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 4.2 ptmt -68.92 -38.74 79.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.715 ' HA ' HD12 ' A' ' 95' ' ' ILE . 19.5 mtp85 -66.13 -47.65 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.44 ' OG ' ' CG2' ' A' ' 25' ' ' ILE . 2.5 m -44.44 -41.97 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.449 ' HD2' ' CG2' ' A' ' 40' ' ' VAL . 5.8 mtm105 -73.33 -35.37 66.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 92' ' ' ARG . 73.3 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 12.0 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.507 0.194 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 1.1 mp0 -40.22 -48.68 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -47.28 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -46.76 -59.21 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.715 ' CE1' HG21 ' A' ' 18' ' ' THR . 37.4 t80 -49.55 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.55 -41.38 14.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -67.85 -35.64 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.3 mt -72.0 -62.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.715 HG21 ' CE1' ' A' ' 14' ' ' PHE . 70.7 p -40.48 -48.34 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -65.49 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.85 -27.86 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.583 HG22 ' CD1' ' A' ' 25' ' ' ILE . 62.4 mt -80.21 -63.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -38.17 -45.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 m -56.56 -57.73 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -54.81 -39.31 68.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.644 ' CD1' HD23 ' A' ' 86' ' ' LEU . 64.2 mt -60.22 -26.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.31 -15.88 32.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.53 -19.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.34 -50.93 80.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.22 7.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -121.98 3.24 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.5 mt -103.28 161.02 24.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 169.71 22.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.13 6.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 64.6 m-20 -97.56 -44.41 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.45 -32.76 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.8 tttt -53.41 -61.15 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -38.84 -56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 3.6 mp0 -63.38 -46.28 87.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -56.29 -45.72 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.3 t -64.68 -12.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.54 -37.56 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -62.07 -38.48 88.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 47' ' ' LEU . 24.2 t -68.38 -34.35 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mt-10 -58.71 -44.22 90.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.41 -52.98 21.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.456 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 51.0 mm-40 -59.15 -26.86 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 43' ' ' VAL . 12.0 mt -70.99 -57.23 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.2 pt-20 -60.07 -32.76 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 2.1 mm-40 -63.43 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -22.62 29.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -51.81 67.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.63 -37.52 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.79 -58.82 4.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.551 HD23 ' HE2' ' A' ' 57' ' ' MET . 3.8 mt -51.97 -32.09 31.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.725 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -72.14 -46.99 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -69.89 -50.42 42.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.551 ' HE2' HD23 ' A' ' 54' ' ' LEU . 35.2 mtm -52.66 -42.09 64.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.11 -36.3 66.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -72.48 -7.53 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 62' ' ' ARG . 2.1 mm-40 -107.08 -50.64 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.37 -25.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -62.07 -39.32 92.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.68 -39.34 77.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -45.07 142.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 159.62 41.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 59.79 5.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -167.58 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -81.17 -23.12 38.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NE ' HG13 ' A' ' 61' ' ' VAL . 6.8 mtp180 -54.86 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 41.35 -98.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' ASN . 20.9 mmt -52.17 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.69 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.26 -52.2 66.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 71' ' ' MET . 14.3 t30 -72.18 -63.25 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 5.5 mtp85 -39.19 -34.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -60.98 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.47 -30.26 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -75.68 -54.53 6.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 8.8 m-85 -47.55 -32.18 5.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HG2' HD13 ' A' ' 54' ' ' LEU . 34.5 mttt -77.01 -32.23 56.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -59.15 -36.15 74.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 16.1 tp10 -84.48 -51.49 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.409 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.87 -60.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.09 -43.0 62.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -41.7 96.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.644 HD23 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -52.28 -32.68 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.88 68.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -82.9 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.83 -32.84 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.552 ' HA ' HG23 ' A' ' 25' ' ' ILE . 5.0 t80 -69.0 -46.47 67.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -86.41 4.22 40.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.2 p -111.8 -32.74 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -85.65 3.3 41.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 91' ' ' LYS . 28.6 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.5 0.191 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -41.38 -55.95 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -42.99 -64.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -56.73 5.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 87.4 t80 -52.06 -61.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.29 -38.82 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -69.85 -37.96 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' PHE . 7.5 mt -63.35 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -42.55 -26.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 17' ' ' LEU . . . -86.47 -58.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.12 -24.14 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.591 HG23 HG13 ' A' ' 43' ' ' VAL . 31.8 mt -81.12 -67.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 18' ' ' THR . 1.0 OUTLIER -35.97 -44.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -57.99 -56.83 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -58.06 -28.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' ' 89' ' ' ASP . 53.5 mt -71.16 -31.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -18.77 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 11.9 mtt180 -92.36 -17.05 25.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.94 -52.1 68.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.95 0.76 8.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -122.73 7.98 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.83 155.06 41.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 170.99 19.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.39 6.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.541 1.811 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.19 -42.17 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -94.53 -32.53 13.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.1 tttm -56.03 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -40.31 -52.89 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -68.39 -44.44 75.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 31.2 tpp -55.5 -56.02 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG13 ' CE1' ' A' ' 90' ' ' PHE . 42.4 t -51.68 -22.07 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.43 -34.88 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.18 -41.24 88.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.665 HG12 HD12 ' A' ' 47' ' ' LEU . 33.9 t -67.87 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.04 -31.01 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -58.34 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.86 -28.29 49.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.665 HD12 HG12 ' A' ' 43' ' ' VAL . 13.7 mt -70.33 -61.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.9 pt-20 -55.87 -32.04 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.9 mm-40 -65.23 -30.61 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.8 -26.28 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -55.45 -41.97 73.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.47 -37.4 85.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -62.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 80' ' ' LYS . 1.3 mt -47.8 -33.75 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 mt-10 -70.45 -53.0 18.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -63.34 -47.74 80.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.3 mtm -54.99 -44.23 74.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.28 -34.12 65.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -74.53 -7.19 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.8 mm-40 -106.57 -51.13 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.715 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.06 -25.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.89 -34.43 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.86 -23.77 38.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.748 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -62.59 142.54 96.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 164.64 32.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.62 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.75 -14.0 18.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -123.13 6.73 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.63 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.48 -63.62 1.69 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -76.96 -59.7 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.715 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -35.2 -35.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.064 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -69.91 -63.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.91 -39.82 78.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.27 -47.25 86.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -34.63 38.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -13.81 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.28 -54.36 3.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.8 m-85 -44.19 -46.05 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.674 ' HG3' HD13 ' A' ' 54' ' ' LEU . 12.5 mttm -60.76 -39.5 88.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -65.77 -49.62 67.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.47 ' CG ' ' HB ' ' A' ' 18' ' ' THR . 3.5 tp10 -57.95 -50.77 72.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 1.2 mmm -60.93 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 -33.07 1.76 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.86 -43.83 82.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.609 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -51.5 -36.32 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.95 -24.93 66.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -89.35 -62.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.435 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -48.97 -31.95 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CE1' HG13 ' A' ' 40' ' ' VAL . 4.8 t80 -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 95' ' ' ILE . 16.4 tttt -81.61 -32.2 32.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -81.13 5.56 16.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.442 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -111.54 -44.36 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -73.28 -3.45 27.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 91' ' ' LYS . 31.9 pt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.45 89.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.01 151.08 21.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 109.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.89 165.02 26.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 m -162.62 127.53 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.59 94.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.04 117.34 1.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -97.46 161.82 13.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.71 144.43 5.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -126.17 -63.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -40.73 -56.77 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -41.9 -65.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -47.82 -67.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.861 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.9 t80 -41.51 -57.54 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.69 -52.53 8.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 t -56.7 -45.96 82.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.16 -68.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.861 HG21 ' CE1' ' A' ' 14' ' ' PHE . 25.6 p -38.87 -48.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.58 -66.99 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.97 -34.99 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.718 HD11 ' HB3' ' A' ' 46' ' ' GLN . 94.5 mt -70.74 -63.67 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -39.55 -49.89 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 22' ' ' THR . 14.0 m -56.29 -55.02 38.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -56.14 -35.59 67.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.671 HD12 HD23 ' A' ' 86' ' ' LEU . 63.8 mt -63.73 -34.7 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.44 59.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -20.35 18.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.53 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.79 -50.82 75.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.04 1.31 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -125.21 17.07 8.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.0 mt -117.19 157.17 47.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.02 169.33 22.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.76 -32.04 10.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.05 -22.18 13.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 41.2 tttt -67.73 -58.48 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.48 -54.03 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' ASN . 31.8 mm-40 -66.19 -46.68 76.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 36.0 tpp -54.48 -50.59 67.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 t -56.27 -20.08 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 -39.04 9.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' GLN . 10.3 t30 -57.92 -33.29 68.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 47' ' ' LEU . 20.8 t -75.93 -31.45 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -62.31 -32.27 72.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -60.24 2.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HB3' HD11 ' A' ' 21' ' ' ILE . 2.1 mp0 -51.43 -28.06 11.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.53 HD12 HG12 ' A' ' 43' ' ' VAL . 15.9 mt -71.44 -63.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.7 pt-20 -54.3 -33.9 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.2 mt-10 -64.9 -27.64 68.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.21 -25.23 18.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -57.74 -44.0 85.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.66 -35.33 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -61.48 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.626 HD21 ' CE2' ' A' ' 14' ' ' PHE . 2.3 mt -47.21 -31.9 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 59' ' ' LEU . 6.5 mt-10 -73.87 -46.54 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -68.88 -44.54 73.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.463 ' HE2' HD23 ' A' ' 54' ' ' LEU . 29.5 mtm -60.25 -41.1 92.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -76.24 -35.62 58.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 55' ' ' GLU . 23.9 mt -74.74 -3.51 31.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.7 mm-40 -110.87 -51.83 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG21 ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.48 -24.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 60' ' ' GLU . 12.5 mtt180 -61.78 -52.45 64.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.27 -32.14 72.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -50.01 142.18 13.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.01 164.57 33.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.4 7.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -100.64 -16.76 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLY . 6.7 t -114.08 -38.03 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -39.37 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -36.93 145.91 0.09 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.29 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.534 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -42.88 -43.18 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.977 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -64.02 -64.83 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -43.89 -36.3 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 10.5 mtt-85 -73.99 -52.45 12.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -39.73 -44.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -45.3 85.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -58.64 -60.97 2.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.3 m-85 -42.28 -63.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.89 -56.48 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -46.39 -56.66 5.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.37 -59.21 5.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.5 -67.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.6 -41.65 18.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -43.31 94.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.671 HD23 HD12 ' A' ' 25' ' ' ILE . 1.4 mt -53.32 -34.53 57.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.79 -15.63 62.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -98.93 -62.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.56 -26.2 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.486 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -68.8 -44.97 72.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.3 pttt -78.47 -26.13 46.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -81.21 4.17 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.77 -37.78 4.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -76.6 -12.2 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.861 HG23 ' O ' ' A' ' 91' ' ' LYS . 23.6 pt -87.42 6.97 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -87.31 122.92 31.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.16 58.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.86 -132.79 8.81 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -45.77 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t 47.72 87.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 46.5 m -84.83 152.31 23.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 p -141.69 168.95 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.5 160.33 41.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.77 -123.54 3.77 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -113.92 166.0 12.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 0.719 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -89.55 -71.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.93 156.41 8.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -101.25 134.92 43.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.99 147.04 4.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -116.97 -52.49 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -39.97 -54.61 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -62.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -47.55 -64.1 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 18' ' ' THR . 44.6 t80 -47.52 -55.19 9.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -48.97 27.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.75 -39.67 80.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.38 -69.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.765 HG21 ' CE1' ' A' ' 14' ' ' PHE . 77.2 p -38.57 -50.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.75 -63.52 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.69 -35.26 30.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.684 HG22 ' CD1' ' A' ' 25' ' ' ILE . 38.9 mt -71.57 -66.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -37.98 -42.96 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -61.98 -52.01 65.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ILE . 11.0 mttm -60.69 -36.28 78.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.684 ' CD1' HG22 ' A' ' 21' ' ' ILE . 79.7 mt -63.97 -32.52 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.46 -16.18 56.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -93.22 -17.43 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.52 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.99 -51.65 69.14 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 0.52 8.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -124.33 19.16 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.3 mt -120.15 156.35 54.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.06 170.13 21.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.77 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -97.77 -38.06 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -99.09 -30.24 12.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 43.7 tttm -58.05 -59.54 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.56 -55.62 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 1.9 mp0 -65.48 -44.98 85.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -55.59 -49.67 72.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 53.7 t -60.56 -15.74 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.41 -35.21 10.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' GLN . 18.7 t30 -62.71 -39.57 94.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.638 HG13 HG23 ' A' ' 21' ' ' ILE . 41.9 t -67.89 -33.6 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mt-10 -59.84 -32.54 70.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -58.07 3.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -52.64 -28.69 22.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 43' ' ' VAL . 17.4 mt -71.12 -62.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -55.54 -33.69 64.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.25 -24.85 67.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.26 -28.4 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -55.81 -47.84 76.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -58.62 -39.08 79.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.53 -61.25 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.702 HD13 ' HG2' ' A' ' 80' ' ' LYS . 1.9 mt -44.51 -36.43 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.566 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -64.72 -61.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 37.0 mm-40 -55.22 -47.48 75.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 mtm -56.48 -47.73 78.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 80' ' ' LYS . 38.5 t0 -69.54 -46.49 66.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 55' ' ' GLU . 11.0 mp -66.51 -10.04 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.3 mm-40 -102.19 -45.47 5.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.734 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -51.17 -22.54 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -66.74 -38.68 87.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -21.2 65.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.632 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.0 mt -69.31 140.63 90.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.632 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.02 161.91 37.93 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.83 5.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.29 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.411 ' HB3' HG23 ' A' ' 64' ' ' ILE . 6.1 t -81.74 -19.45 41.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 14.2 mtp180 -61.61 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 50.21 -102.95 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -60.34 3.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.734 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.13 -37.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.7 t -67.57 -60.72 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -58.72 -48.8 79.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -50.5 -47.29 57.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.33 -44.91 68.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -22.23 64.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -86.94 -61.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 19.0 m-85 -38.73 -58.78 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.702 ' HG2' HD13 ' A' ' 54' ' ' LEU . 7.1 mttt -50.69 -57.57 7.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.27 -57.81 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -59.57 -56.18 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.91 -71.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.82 -36.57 2.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.1 OUTLIER -67.41 -45.79 75.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -50.31 -34.88 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.77 -26.68 67.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.433 HG22 ' HD3' ' A' ' 92' ' ' ARG . 1.3 m -87.37 -62.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.456 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -36.89 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.1 t80 -60.32 -46.39 90.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 1.2 tttt -67.8 -40.43 83.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.721 ' HA ' HD12 ' A' ' 95' ' ' ILE . 19.5 mtp85 -67.26 -37.87 84.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.45 ' OG ' HG22 ' A' ' 25' ' ' ILE . 3.2 m -58.72 -43.93 90.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -76.89 -13.52 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 92' ' ' ARG . 20.5 mt -78.13 -47.49 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 29' ' ' PRO . . . -40.7 -62.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.32 91.7 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.84 -176.86 46.19 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.57 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.0 p -75.11 160.03 30.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.8 p -166.41 159.99 15.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -136.89 145.16 44.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -158.66 159.94 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.53 -175.67 14.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.22 154.3 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 110.043 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.36 -60.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.13 82.58 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -105.96 -17.76 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.24 157.53 10.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 15.3 m-85 -135.89 -67.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 2.3 mp0 -38.27 -49.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -44.63 -65.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.01 -58.0 8.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 54' ' ' LEU . 58.5 t80 -45.53 -63.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -50.37 8.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.83 -44.8 86.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 12.9 mt -56.55 -73.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.6 p -37.94 -42.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.14 -62.08 2.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -53.11 -29.44 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.685 HG23 HG13 ' A' ' 43' ' ' VAL . 62.2 mt -74.94 -62.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -39.05 -43.0 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 m -65.2 -60.27 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -51.52 -32.61 28.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.612 HD12 HD23 ' A' ' 86' ' ' LEU . 61.8 mt -66.78 -31.46 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -8.14 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -99.76 -18.28 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -54.51 -51.58 77.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.846 ' HB3' ' HB3' ' A' ' 96' ' ' ALA . 18.5 Cg_endo -74.99 0.71 8.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -120.13 2.64 10.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' ARG . 30.3 mt -103.89 159.21 30.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.02 170.83 19.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.68 6.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.76 -49.4 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -85.47 -31.45 22.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 8.9 tttm -55.57 -58.89 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.42 -53.13 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' ASN . 77.2 mm-40 -68.5 -47.16 67.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.4 tpp -52.98 -57.25 10.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.8 t -49.9 -23.18 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.28 -34.26 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.3 t30 -59.17 -43.61 92.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.685 HG13 HG23 ' A' ' 21' ' ' ILE . 25.4 t -65.4 -34.61 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 90' ' ' PHE . 1.2 mt-10 -61.54 -20.53 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -88.06 -62.3 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.477 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.6 mp0 -51.21 -29.62 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.643 HD12 HG12 ' A' ' 43' ' ' VAL . 16.4 mt -70.24 -64.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.3 pt-20 -53.67 -33.66 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.54 -30.0 70.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -27.7 27.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.36 -32.17 71.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -58.37 -60.94 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.6 mt -43.9 -36.84 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 2.4 mt-30 -48.91 -45.26 41.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.563 ' HE2' HD23 ' A' ' 54' ' ' LEU . 14.3 mtm -53.66 -44.67 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.9 -42.06 28.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.67 -8.88 46.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.7 mm-40 -101.7 -53.93 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.645 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -43.33 -27.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -55.53 -41.95 73.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 60' ' ' GLU . 24.4 mt-10 -65.7 -44.13 87.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.704 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.6 mt -41.43 142.19 1.01 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.5 Cg_endo -74.92 159.14 41.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.801 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.26 5.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.5 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.7 t -79.26 -27.79 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -49.43 -81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.8 -96.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.8 OUTLIER -54.95 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.645 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.29 -33.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' MET . 4.2 t -71.71 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.79 -48.73 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 1.9 mmt180 -52.79 -53.0 54.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -41.85 -52.6 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.57 71.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.14 -62.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 8.0 m-85 -37.6 -62.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.533 ' HG3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -45.79 -57.49 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -49.57 -47.43 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.72 -63.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.6 mmm -44.91 -61.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.72 -34.03 9.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -73.71 -37.26 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.612 HD23 HD12 ' A' ' 25' ' ' ILE . 1.7 mt -58.27 -23.13 55.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -38.11 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -78.66 -67.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.01 -35.01 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -62.56 -48.08 81.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.888 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.78 -19.54 57.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -86.48 1.81 50.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 p -109.46 -31.14 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -78.63 -18.9 53.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 91' ' ' LYS . 2.3 pt -79.33 -15.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 29' ' ' PRO . . . -74.55 131.63 41.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 p -174.5 -50.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.27 -147.22 4.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 102.15 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.7 t -104.14 155.02 19.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 m -67.83 132.33 47.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m 42.46 90.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.5 84.52 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.45 65.95 2.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.31 126.95 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -102.64 111.11 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.87 -92.73 0.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.52 159.05 30.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.57 117.19 3.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -117.27 -61.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.04 -54.17 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -44.64 -61.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.07 -64.14 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.814 ' CE2' HD21 ' A' ' 54' ' ' LEU . 48.7 t80 -46.97 -50.87 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -54.83 24.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.64 -52.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.532 ' CD2' ' NE2' ' A' ' 46' ' ' GLN . 12.8 mt -50.63 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.763 HG21 ' CE1' ' A' ' 14' ' ' PHE . 20.3 p -40.4 -62.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.53 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.09 -48.84 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.864 HG23 HG13 ' A' ' 43' ' ' VAL . 99.0 mt -62.2 -58.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -37.65 -45.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.2 m -65.47 -56.46 12.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -52.37 -33.06 41.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 HD23 ' A' ' 86' ' ' LEU . 26.4 mt -65.7 -33.71 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.49 -15.67 58.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 30' ' ' ARG . 10.6 mtt85 -93.03 -28.42 16.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -42.84 -50.94 12.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.0 -23.36 13.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 27' ' ' ARG . 85.9 mtt180 -101.86 26.69 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.3 mt -123.9 159.19 57.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.1 Cg_endo -75.01 167.39 27.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.538 1.809 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.818 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -44.14 6.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.1 -29.98 16.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 30.1 tttt -56.25 -60.1 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.69 -53.26 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 42' ' ' ASN . 32.2 mm-40 -67.15 -44.15 80.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -57.24 -48.69 78.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 49.1 t -59.69 -16.3 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.39 -37.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' GLN . 17.9 t30 -60.74 -38.38 84.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.864 HG13 HG23 ' A' ' 21' ' ' ILE . 40.8 t -68.98 -34.87 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.3 mt-10 -58.61 -31.6 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.46 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.784 ' HB3' HD11 ' A' ' 21' ' ' ILE . 8.0 mm-40 -53.89 -32.14 52.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 86' ' ' LEU . 16.8 mt -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 6.7 pt-20 -57.28 -32.06 66.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.6 mm-40 -66.47 -26.54 67.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.37 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -56.68 -45.92 81.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 15.7 pt-20 -62.89 -35.64 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -54.01 -59.25 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.814 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.7 mt -48.72 -34.03 11.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -54.73 21.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -63.91 -43.39 96.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.586 ' HE2' HD23 ' A' ' 54' ' ' LEU . 20.2 mtm -58.88 -47.78 83.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -70.67 -38.26 73.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.36 -8.13 43.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.0 mm-40 -106.48 -54.46 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.627 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -46.66 -26.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -58.95 -54.41 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.36 -39.44 93.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.8 mt -44.28 141.7 2.51 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.03 164.86 32.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 2.24 6.81 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.767 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -101.47 -16.43 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 70' ' ' GLY . 35.9 t -115.98 -34.34 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' GLY . 4.5 ttt180 -39.64 -28.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -35.16 151.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 2.1 mmt 64.14 -66.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.627 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.74 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.4 t -62.3 -51.8 66.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.33 -41.4 79.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 75.7 mtt-85 -71.2 -40.31 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -47.85 -44.34 29.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -72.62 -59.17 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.0 p -42.43 -44.51 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 4.3 m-85 -55.67 -62.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -43.05 -48.98 6.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -44.35 -53.76 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -59.16 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -54.16 -37.27 58.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 25' ' ' ILE . 5.7 mt -54.43 -28.77 46.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.29 -39.51 74.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -74.47 -65.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.22 -48.85 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.27 -43.77 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.831 ' O ' HG23 ' A' ' 95' ' ' ILE . 16.0 tttt -75.88 -31.05 59.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -80.9 4.71 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.425 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -111.31 -44.48 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -69.54 -29.53 67.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 91' ' ' LYS . 34.3 pt -61.55 -14.97 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -66.38 133.95 51.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.0 p 178.55 78.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.97 144.47 21.92 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.157 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.77 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.7 t -73.74 158.56 34.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.62 87.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.0 141.65 30.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.792 . . . . 0.0 109.957 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -106.29 120.58 42.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.08 124.97 23.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.94 155.88 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -143.04 159.85 41.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.24 152.44 16.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.44 60.9 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.69 137.91 2.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' GLU . 9.7 m-85 -111.96 -66.54 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 8.2 mt-10 -38.0 -48.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -48.21 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.93 -56.61 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.664 ' CE1' HD21 ' A' ' 54' ' ' LEU . 69.3 t80 -51.46 -62.54 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.46 -52.16 10.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.24 -45.19 84.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 46' ' ' GLN . 11.8 mt -60.12 -64.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.661 HG21 ' CE2' ' A' ' 14' ' ' PHE . 32.0 p -40.89 -57.66 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 -66.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -43.38 -52.77 5.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.8 HD11 ' CB ' ' A' ' 46' ' ' GLN . 62.4 mt -54.7 -57.49 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -41.55 -48.96 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' THR . 4.9 m -58.26 -59.24 5.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 8.1 mttp -52.35 -37.86 57.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.74 ' CD1' HG22 ' A' ' 21' ' ' ILE . 58.8 mt -62.06 -28.69 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.86 -13.67 44.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -95.28 -17.63 21.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.509 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.68 -51.84 72.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 0.15 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -120.59 9.43 10.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 mt -112.68 156.99 41.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 171.99 17.24 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 2.81 6.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -97.1 -41.69 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -96.78 -26.99 14.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 44.6 tttt -61.1 -50.98 71.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -51.79 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.2 mp0 -70.15 -44.11 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 32.4 tpp -56.37 -53.04 62.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -55.07 -19.46 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.24 -39.98 9.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -56.21 -37.25 69.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.78 HG13 HG23 ' A' ' 21' ' ' ILE . 44.7 t -71.68 -34.57 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.5 mm-40 -60.36 -30.21 69.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -59.38 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.8 ' CB ' HD11 ' A' ' 21' ' ' ILE . 10.0 mm-40 -52.5 -27.52 16.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 43' ' ' VAL . 18.6 mt -75.6 -60.19 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -58.39 -25.63 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.14 -30.41 63.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.27 -24.84 27.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -57.84 -40.36 79.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -67.86 -33.35 74.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -56.01 -58.81 6.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.664 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.8 mt -49.36 -33.9 14.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -50.96 46.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -66.66 -43.09 85.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.546 ' HE2' HD23 ' A' ' 54' ' ' LEU . 27.1 mtm -60.73 -40.88 93.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -74.85 -36.37 62.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.12 -6.91 45.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.91 -47.42 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.22 -24.97 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -61.18 -46.23 91.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -67.22 -34.51 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.718 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.7 mt -50.42 142.64 14.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 164.35 33.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.97 7.17 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.496 1.787 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -103.5 -24.73 13.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -104.67 -2.21 25.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.12 42.83 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.9 -79.35 0.85 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -64.68 -56.68 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 110.97 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.27 -55.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.7 m -48.4 -61.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -57.88 -47.81 81.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.1 mtt180 -52.01 -56.47 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mmt -40.4 -56.57 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -46.82 45.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.42 -66.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 17.4 m-85 -37.45 -60.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.527 ' HG2' HD13 ' A' ' 54' ' ' LEU . 9.6 mttm -46.93 -53.21 12.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -51.49 -60.84 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.06 -60.05 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.07 -71.15 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.74 -34.75 3.98 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.84 72.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' HB3' HD21 ' A' ' 47' ' ' LEU . 2.6 mt -51.39 -31.49 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -33.25 72.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -83.01 -56.52 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.99 -26.77 27.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.535 ' HA ' HG23 ' A' ' 25' ' ' ILE . 1.2 t80 -72.49 -45.52 59.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -69.66 -38.02 76.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.491 ' HA ' ' CG1' ' A' ' 95' ' ' ILE . 46.1 mtp180 -74.81 -0.81 19.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.497 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -98.35 -41.97 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 8.1 ptt85 -75.96 -22.84 55.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 96' ' ' ALA . 2.0 pp -86.03 -44.65 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.736 ' O ' HD12 ' A' ' 95' ' ' ILE . . . 44.88 -169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.72 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ALA . . . 167.39 147.33 5.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -55.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.54 1.81 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.4 m -39.35 114.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m 70.2 -66.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.973 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -178.41 133.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m 66.44 169.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.76 -152.04 6.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -119.02 112.27 19.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -83.62 151.75 25.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.62 106.88 0.52 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -92.98 162.56 14.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 110.345 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.08 160.81 11.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -136.84 -63.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CG ' ' OH ' ' A' ' 79' ' ' TYR . 1.5 mp0 -38.82 -52.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.51 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -42.86 -57.68 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 18' ' ' THR . 59.7 t80 -51.94 -58.46 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.69 -51.77 5.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 t -57.12 -46.76 84.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' CD ' ' A' ' 46' ' ' GLN . 13.3 mt -55.47 -70.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.777 HG21 ' CE1' ' A' ' 14' ' ' PHE . 18.3 p -38.74 -57.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.91 -68.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.93 -50.22 10.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.8 HD11 ' CB ' ' A' ' 46' ' ' GLN . 48.1 mt -56.12 -66.41 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -39.0 -41.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 m -66.6 -53.67 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 10.2 mttt -57.78 -38.11 74.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.618 HD12 HD23 ' A' ' 86' ' ' LEU . 70.3 mt -61.79 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.07 -15.57 46.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.79 -19.65 20.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.74 -51.31 77.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.94 0.66 8.6 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -122.79 6.4 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.16 156.76 37.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.55 7.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.95 -45.98 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.62 -32.7 16.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 32.6 tttt -56.01 -58.25 8.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.48 -53.8 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 42' ' ' ASN . 41.4 mm-40 -67.5 -45.78 74.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.447 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 34.4 tpp -54.42 -54.82 35.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.0 t -51.29 -22.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.29 -36.46 12.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' GLN . 11.8 t-20 -60.34 -40.04 89.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG13 HG23 ' A' ' 21' ' ' ILE . 42.6 t -68.07 -36.56 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.3 mt-10 -56.51 -34.17 66.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.84 -57.36 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.8 ' CB ' HD11 ' A' ' 21' ' ' ILE . 12.4 mm-40 -53.39 -29.02 32.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 86' ' ' LEU . 17.2 mt -73.18 -58.4 3.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.19 -35.82 78.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.77 -29.57 70.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.26 -26.96 23.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.31 -39.35 72.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.46 -31.6 71.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 110.236 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -60.0 -61.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.651 HD21 ' CE2' ' A' ' 14' ' ' PHE . 2.7 mt -45.54 -35.51 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.66 ' O ' HD23 ' A' ' 59' ' ' LEU . 28.5 mt-10 -69.11 -62.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.2 -44.44 67.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.406 ' HE3' HD23 ' A' ' 54' ' ' LEU . 25.7 mtm -56.21 -48.11 77.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -71.26 -42.99 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 55' ' ' GLU . 4.4 mm? -63.56 -12.28 31.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -102.09 -42.24 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.742 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -48.92 -23.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -50.16 73.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.9 -39.63 94.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.683 HG23 ' HD2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -49.35 141.5 11.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.683 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.97 166.65 28.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.87 7.23 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -101.32 -20.23 15.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -119.32 17.05 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' GLY . 6.7 ttt180 -100.45 -35.89 9.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -35.01 -48.19 0.74 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -65.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.742 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -44.19 -55.68 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.43 -53.68 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -55.67 -37.99 69.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.4 mtt-85 -65.7 -45.67 81.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.496 ' O ' ' CE ' ' A' ' 80' ' ' LYS . 65.1 mmm -62.6 -32.54 73.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -81.34 -23.48 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -50.86 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' OH ' ' CG ' ' A' ' 11' ' ' GLU . 10.4 m-85 -46.06 -54.49 8.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' CE ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -47.3 -48.55 25.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -49.06 -55.15 12.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -55.91 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -63.44 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.53 -42.61 44.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -43.0 96.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.719 HD22 HG22 ' A' ' 21' ' ' ILE . 4.4 mt -52.13 -31.99 33.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -35.81 71.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -77.19 -63.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.467 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -43.49 -44.43 5.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -55.72 -43.5 76.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.773 ' O ' HG23 ' A' ' 95' ' ' ILE . 13.9 tttp -75.74 -32.08 59.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 60.4 mtp180 -82.67 3.69 27.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.44 -40.97 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -77.53 0.2 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.773 HG23 ' O ' ' A' ' 91' ' ' LYS . 31.5 pt -96.22 -2.76 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 29' ' ' PRO . . . -83.41 119.26 24.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.64 -51.72 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.3 -147.17 4.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 156.45 43.15 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.479 1.778 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 90.9 p -144.11 99.59 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.52 149.25 21.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -163.93 87.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.41 159.71 3.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.44 130.65 2.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -124.53 125.69 44.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -155.92 147.05 22.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.74 158.61 27.79 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.33 53.68 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.32 132.22 2.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.2 m-85 -110.73 -67.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -38.65 -53.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -44.0 -54.79 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -55.96 28.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 90.2 t80 -49.39 -55.92 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.66 -60.28 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -50.33 -34.9 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 14.6 mt -69.79 -50.44 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -64.15 -11.38 29.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.62 -53.25 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.32 -49.36 77.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.921 HG23 HG13 ' A' ' 43' ' ' VAL . 82.7 mt -53.22 -56.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -44.58 -54.72 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.532 ' N ' HG22 ' A' ' 22' ' ' THR . 45.6 m -52.8 -58.46 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 6.1 mttp -54.05 -36.68 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.845 ' CD1' HG22 ' A' ' 21' ' ' ILE . 69.4 mt -64.32 -32.67 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.41 -10.61 58.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -98.38 -21.82 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.14 -49.78 82.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 1.28 7.93 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -127.62 21.97 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.9 mt -122.09 158.95 53.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 169.79 21.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.6 8.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.92 -39.44 8.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -95.66 -28.42 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -60.49 -57.86 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -56.9 1.42 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -62.85 -49.0 76.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.485 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 39.1 tpp -52.44 -51.36 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.7 t -55.08 -21.17 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.73 -40.6 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -53.24 -43.61 67.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.921 HG13 HG23 ' A' ' 21' ' ' ILE . 38.9 t -65.56 -38.81 83.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.6 mm-40 -58.71 -19.18 37.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.11 -63.21 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.642 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.7 mp0 -50.23 -33.28 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 43' ' ' VAL . 18.6 mt -66.35 -65.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.8 pt-20 -51.62 -31.79 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.5 mt-10 -66.88 -31.31 71.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.3 -27.24 29.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -58.39 -38.77 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.47 -28.61 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -63.5 -50.56 69.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -53.4 -35.14 60.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -63.22 -61.2 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.502 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 3.1 mm-40 -62.18 -39.17 91.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.463 ' HE3' HD23 ' A' ' 54' ' ' LEU . 12.0 mtm -59.71 -50.36 74.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.91 -19.73 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.0 mt -95.62 5.4 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.5 mm-40 -116.58 -42.24 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.714 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 2.0 t -47.02 -26.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -61.86 -36.33 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' GLU . 5.2 mm-40 -75.16 -41.11 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.733 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.8 mt -40.16 142.77 0.68 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.733 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 163.23 35.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.2 8.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.66 -30.1 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -94.96 -30.35 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -62.45 -175.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.15 -78.65 0.26 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -49.62 73.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.714 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -39.71 -42.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 t -66.87 -55.29 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -51.76 -23.25 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -90.32 -40.09 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -35.48 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -49.44 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -47.39 86.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -45.29 -66.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -44.45 -59.2 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -42.25 -46.17 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -59.83 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mmm -49.35 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.98 -33.7 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -72.37 -41.07 66.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.86 -25.11 18.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -40.26 69.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -72.86 -67.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -42.41 -39.48 2.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.598 ' HA ' HG23 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -59.36 -49.72 76.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -70.97 -26.51 63.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' HA ' HG12 ' A' ' 95' ' ' ILE . 11.3 mtp180 -84.52 -1.49 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.448 ' OG ' ' CG1' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -99.67 -34.27 10.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.437 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -76.59 -24.14 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 91' ' ' LYS . 0.7 OUTLIER -90.05 46.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.54 ' HB3' ' HB3' ' A' ' 29' ' ' PRO . . . -122.12 86.2 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.5 t -157.95 111.02 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.976 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.78 118.07 1.79 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.46 2.56 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.2 126.98 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.6 p -84.21 113.44 21.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.163 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t 46.05 93.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 p -132.25 167.4 19.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.13 170.36 43.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.78 160.27 5.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 0.728 . . . . 0.0 110.033 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.42 143.66 49.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.79 -108.76 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.69 142.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 0.762 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.84 137.14 9.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -125.69 -61.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 0.721 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.83 -51.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -50.36 -66.21 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -42.49 -62.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.831 ' CE1' HG21 ' A' ' 18' ' ' THR . 49.3 t80 -50.26 -56.54 10.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.03 -54.13 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.616 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 7.5 t -56.31 -52.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.19 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.831 HG21 ' CE1' ' A' ' 14' ' ' PHE . 81.0 p -38.95 -37.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . -63.34 -67.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -49.44 -34.79 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.673 HG23 HG13 ' A' ' 43' ' ' VAL . 93.7 mt -65.86 -64.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -39.67 -49.46 2.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.45 ' N ' ' CG2' ' A' ' 22' ' ' THR . 20.2 m -55.06 -58.96 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' VAL . 26.1 mttt -52.51 -44.29 65.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.517 ' CD1' HG22 ' A' ' 21' ' ' ILE . 66.8 mt -54.29 -23.0 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -91.4 -24.05 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -93.94 -7.0 44.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.545 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -66.02 -50.24 52.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.98 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -31.02 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ARG . 20.0 mt -67.79 160.28 74.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.99 172.52 16.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.25 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 83.3 m-20 -101.27 -40.8 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.54 -24.54 17.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.5 tttm -63.06 -57.31 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.4 -58.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 4.4 mp0 -61.71 -47.93 83.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.4 tpp -54.09 -47.53 71.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 43.9 t -60.49 -17.22 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.84 -38.23 9.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -60.77 -34.07 73.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.344 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.685 HG12 HD12 ' A' ' 47' ' ' LEU . 30.3 t -73.71 -33.71 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -57.77 -35.84 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.32 -57.02 4.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.582 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.4 mp0 -52.82 -30.28 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD12 HG12 ' A' ' 43' ' ' VAL . 18.2 mt -75.1 -57.38 3.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -60.85 -27.14 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.4 -29.05 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -87.03 -31.1 20.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -53.05 -45.66 68.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 8.9 pt-20 -63.01 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -52.71 -58.21 7.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.665 HD21 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -48.58 -34.68 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.59 -61.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLU . 23.6 mm-40 -55.87 -48.31 75.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.413 ' CE ' HD23 ' A' ' 54' ' ' LEU . 37.0 mtm -54.11 -50.92 65.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.69 -55.75 23.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 55' ' ' GLU . 8.1 mp -61.8 -13.78 26.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' GLN . 1.2 tt0 -92.56 -59.48 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.639 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -40.75 -29.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 60' ' ' GLU . 1.8 mtp180 -55.16 -47.51 75.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -63.69 -41.16 98.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.66 HG23 ' HD2' ' A' ' 65' ' ' PRO . 6.1 mt -46.31 141.74 4.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.07 167.17 27.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -102.1 -4.52 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' ARG . 47.2 t -128.98 -42.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HG2' HG13 ' A' ' 61' ' ' VAL . 3.9 mtp180 -38.02 -36.98 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -38.57 137.04 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER 81.26 -53.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 110.993 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.639 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -53.96 -60.8 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.8 t -44.7 -56.66 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -50.03 -42.42 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -60.09 -41.64 92.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.9 mmm -58.76 -33.69 70.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -77.6 -22.29 51.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.16 -53.69 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.042 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 75' ' ' ARG . 6.1 m-85 -41.58 -61.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -40.37 -51.85 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -45.83 -58.89 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.7 OUTLIER -65.71 -59.77 3.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -62.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.62 -34.77 36.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.5 tttt -71.14 -37.39 72.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HB3' HD21 ' A' ' 47' ' ' LEU . 2.8 mt -58.66 -24.73 61.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.74 -33.21 64.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.407 ' C ' ' N ' ' A' ' 90' ' ' PHE . 1.2 m -82.87 -63.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.35 -27.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' THR . 1.8 t80 -74.7 -45.34 44.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.823 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -72.28 -30.06 64.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.403 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 10.2 mtp180 -83.6 -1.95 55.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.6 p -105.14 -39.97 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -72.02 -18.92 61.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.823 HG23 ' O ' ' A' ' 91' ' ' LYS . 25.1 pt -84.83 -47.82 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.503 ' HB2' ' HB3' ' A' ' 29' ' ' PRO . . . 38.65 56.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.1 p -137.78 171.24 14.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.51 167.56 42.95 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -51.35 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 t -70.85 133.63 46.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.8 t 61.35 113.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.16 . . . . 0.0 110.989 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -107.57 160.62 15.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.34 -61.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.88 -142.88 9.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.14 149.01 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.736 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.73 158.86 43.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.2 -149.65 7.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.1 166.29 24.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.64 142.68 3.63 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.1 m-85 -103.56 -61.57 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -43.23 -40.32 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -57.94 -60.7 3.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -52.7 55.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.657 ' CE1' HD21 ' A' ' 54' ' ' LEU . 78.4 t80 -55.54 -55.66 29.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.17 -52.69 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.14 -46.74 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.366 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 17' ' ' LEU . 13.4 mt -56.56 -66.05 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.461 HG21 ' CZ ' ' A' ' 14' ' ' PHE . 16.8 p -41.06 -64.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.36 -51.9 10.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.09 -55.96 25.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.622 HD11 ' HB3' ' A' ' 46' ' ' GLN . 74.6 mt -53.24 -61.66 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -38.57 -45.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ALA . 42.5 m -58.56 -62.64 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -51.34 -29.52 15.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.661 HD12 HD23 ' A' ' 86' ' ' LEU . 75.6 mt -73.55 -30.25 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -88.0 -5.55 58.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 31' ' ' LEU . 26.2 mtt180 -106.82 -13.4 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.739 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -56.43 -51.82 78.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.06 1.6 7.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -115.8 -9.87 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 43.0 mt -97.9 159.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 173.86 13.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.67 6.36 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.793 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.55 -43.79 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.5 -35.79 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 5.6 tttm -51.45 -58.66 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.6 tttp -40.0 -57.39 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -54.83 -50.1 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.739 ' HG2' HG23 ' A' ' 28' ' ' VAL . 2.5 ttm -57.7 -40.09 78.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 74.7 t -68.69 -8.62 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -104.68 -41.99 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -58.73 -38.05 77.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.736 HG12 HD12 ' A' ' 47' ' ' LEU . 25.8 t -67.92 -39.76 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.9 mt-10 -52.43 -31.11 32.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.67 -66.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.622 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.7 mp0 -40.08 -32.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.736 HD12 HG12 ' A' ' 43' ' ' VAL . 33.6 mt -72.34 -59.11 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.57 -24.93 58.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -72.48 -56.44 5.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -34.06 75.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -43.48 -40.6 3.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 4.6 pt-20 -66.91 -42.07 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -48.78 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.7 mt -45.1 -35.19 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -64.83 -67.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -51.11 -43.51 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.499 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 26.2 mtm -58.96 -41.99 88.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.44 -43.64 48.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' GLU . 10.8 mp -65.91 -11.28 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.4 mm-40 -102.39 -46.75 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.704 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.46 -25.78 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -56.22 -46.5 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -66.28 -42.24 88.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.723 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.0 mt -42.48 142.57 1.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.03 164.99 32.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.95 8.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -101.45 -29.98 11.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.439 ' HB3' HG23 ' A' ' 64' ' ' ILE . 1.4 t -94.62 -33.88 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 10.6 mtp180 -58.24 -27.88 64.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.6 -39.52 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -56.89 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.704 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -46.82 -39.33 11.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 75' ' ' ARG . 13.6 t -68.58 -61.45 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -42.12 -28.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 12.9 mtt180 -82.4 -47.23 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.499 ' HE3' ' HB3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -51.35 -31.87 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.49 -38.62 87.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.28 -55.15 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 16.6 m-30 -39.48 -62.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.87 -50.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -58.78 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.07 -60.56 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.41 -64.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.77 -34.34 36.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.437 1.086 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -68.72 -43.51 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.369 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -51.34 -30.89 20.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -28.28 65.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -84.84 -67.82 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.432 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.16 -40.87 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.7 t80 -56.62 -42.95 79.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.84 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -79.3 -31.3 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 18.1 mtp180 -77.67 -0.12 25.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.439 ' OG ' HG11 ' A' ' 28' ' ' VAL . 3.0 p -108.2 -43.98 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' HG11 ' A' ' 28' ' ' VAL . 18.8 ptt85 -71.52 -8.48 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.84 HG23 ' O ' ' A' ' 91' ' ' LYS . 40.5 pt -88.31 9.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -90.99 86.38 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.17 142.42 24.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.64 -176.28 20.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 100' ' ' SER . 18.3 Cg_endo -75.01 69.59 5.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' PRO . 0.4 OUTLIER 164.51 100.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.5 m -85.7 -56.84 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -145.52 -58.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.88 162.01 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 139.02 2.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 t -141.21 -70.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 110.026 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.08 87.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.89 102.23 0.72 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.97 140.49 29.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.793 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.77 132.9 6.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 13.9 m-85 -114.77 -65.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.9 mp0 -38.2 -53.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -45.16 -62.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -55.1 25.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.739 ' CE2' HD21 ' A' ' 54' ' ' LEU . 45.7 t80 -50.34 -65.8 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.92 6.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.09 -43.26 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' PHE . 10.6 mt -57.39 -65.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' ALA . 25.4 p -41.47 -67.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' THR . . . -39.99 -59.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.37 -51.25 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.717 HG23 HG13 ' A' ' 43' ' ' VAL . 34.4 mt -54.41 -63.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -38.7 -48.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.39 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' ALA . 47.6 m -53.16 -66.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -46.99 -37.73 9.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.674 ' CD1' HG22 ' A' ' 21' ' ' ILE . 80.2 mt -66.51 -37.73 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.53 -12.33 59.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -97.96 -18.98 18.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.796 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -51.94 -50.8 76.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.03 2.82 6.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -128.67 21.24 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 38.7 mt -126.13 159.44 62.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 171.51 18.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 3.42 5.62 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.74 -50.17 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.43 -32.85 22.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 12.1 tttt -53.71 -59.2 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.59 -56.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -57.47 -51.38 69.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.796 ' HG2' HG23 ' A' ' 28' ' ' VAL . 2.6 ttm -55.77 -40.98 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 78.8 t -70.05 -7.29 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.14 -47.45 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -53.68 -40.08 65.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.717 HG13 HG23 ' A' ' 21' ' ' ILE . 55.5 t -65.78 -40.39 87.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mm-40 -55.89 -26.86 49.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -57.65 2.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -52.37 -28.3 18.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 47' ' ' LEU . 17.8 mt -70.51 -63.91 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.0 pt-20 -53.05 -32.11 45.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 mt-10 -65.76 -29.52 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.61 -27.36 23.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -57.93 -37.97 75.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -31.51 69.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -57.82 -55.61 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.739 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.1 mt -52.13 -33.61 40.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -65.76 -54.64 24.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.349 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -63.28 -48.61 77.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.8 mtm -54.29 -45.12 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -71.58 -36.91 71.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -70.55 -7.54 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -107.95 -43.0 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.648 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.3 t -50.52 -22.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -61.23 -44.95 96.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.83 -30.23 66.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.724 HG23 ' HD2' ' A' ' 65' ' ' PRO . 7.3 mt -54.29 142.4 49.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.1 Cg_endo -75.06 162.99 36.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.25 9.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.27 -23.66 16.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.2 t -105.64 -44.46 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.45 ' CD ' HG13 ' A' ' 61' ' ' VAL . 6.9 mtp180 -44.14 -32.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.96 0.68 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -60.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.648 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -46.22 -47.8 17.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 t -52.3 -56.89 11.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -48.31 -38.46 19.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.569 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.26 -48.18 44.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -42.95 -58.32 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -51.48 42.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -63.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 8.2 m-85 -38.17 -64.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.433 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.25 -56.34 4.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -48.8 -58.31 5.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.88 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.9 mmm -44.51 -60.69 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.63 -35.03 15.65 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -41.38 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 0.9 OUTLIER -53.1 -28.73 26.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -24.97 63.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 m -91.1 -62.52 1.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -47.67 -34.13 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.542 ' HA ' HG23 ' A' ' 25' ' ' ILE . 2.0 t80 -62.69 -42.77 99.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.825 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -77.69 -27.82 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 9.6 mtp180 -80.87 1.04 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.596 ' OG ' HG11 ' A' ' 28' ' ' VAL . 1.5 p -106.66 -46.15 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -67.94 -24.3 65.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 91' ' ' LYS . 47.4 pt -72.97 -10.39 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -71.22 139.62 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.88 -44.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.943 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.98 -155.2 8.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -46.3 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 p -104.19 -47.02 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m 51.54 77.39 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.61 -58.26 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 110.0 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -66.47 132.31 47.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.054 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.59 -137.79 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 p -143.93 -61.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 110.013 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.35 165.04 28.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.41 -90.89 0.41 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.55 153.88 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.2 -122.17 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 9.5 m-85 -64.43 -62.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HG2' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -42.42 -52.05 4.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.64 -65.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.85 -64.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' A' ' 18' ' ' THR . 91.3 t80 -40.5 -62.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.58 -55.37 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 t -53.68 -38.17 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.43 -66.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.658 HG21 ' CE2' ' A' ' 14' ' ' PHE . 80.4 p -38.93 -45.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.53 -61.67 2.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.86 -28.38 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.568 HG23 HG13 ' A' ' 43' ' ' VAL . 45.2 mt -78.85 -65.17 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.75 -46.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.1 m -61.46 -55.49 30.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 17.2 mttm -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.713 HD12 HD23 ' A' ' 86' ' ' LEU . 65.9 mt -58.29 -32.6 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.15 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.0 mtm180 -88.48 -32.49 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.492 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -37.89 -53.25 2.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -29.59 8.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 32.0 mtt180 -95.04 31.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 47.4 mt -129.86 159.68 68.72 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.97 168.6 24.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.72 7.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.69 -33.03 9.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.58 -21.5 14.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 18.7 tttm -64.33 -57.27 9.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -57.51 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ASN . 25.1 mm-40 -59.28 -43.74 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.489 ' HG3' HG23 ' A' ' 28' ' ' VAL . 30.0 tpp -61.14 -39.62 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 76.6 t -76.12 -1.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.42 -36.27 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' GLN . 9.9 t-20 -66.39 -44.24 83.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.568 HG13 HG23 ' A' ' 21' ' ' ILE . 39.1 t -61.43 -36.96 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -54.34 -19.22 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 -58.89 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -50.71 -31.12 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.488 HD12 HG12 ' A' ' 43' ' ' VAL . 17.8 mt -68.82 -65.11 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.98 -28.66 24.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.49 -28.76 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.22 -27.64 22.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -59.06 -46.35 88.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.98 -36.38 77.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -54.1 -58.4 7.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.61 HD21 ' CE1' ' A' ' 14' ' ' PHE . 4.5 mt -50.95 -31.05 16.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.7 68.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.36 -51.14 25.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.501 ' HE2' HD23 ' A' ' 54' ' ' LEU . 32.5 mtm -55.05 -39.1 68.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.36 -49.43 49.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -8.87 46.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.18 -47.47 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.67 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.67 -23.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.14 -52.15 66.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 64' ' ' ILE . 5.0 pt-20 -62.34 -40.67 97.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.0 mt -42.42 142.57 1.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.94 163.04 36.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.547 1.814 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 2.14 6.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.05 -17.84 15.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.9 t -112.21 -24.99 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' GLY . 5.7 mtp180 -67.37 -28.82 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' ARG . . . -37.4 -44.55 1.21 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.67 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -40.16 -50.81 2.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' ARG . 36.5 p -50.63 -69.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -41.67 -29.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -78.86 -51.25 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.83 -46.01 3.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.98 -47.12 87.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -58.97 5.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 11' ' ' GLU . 15.3 m-85 -47.82 -61.41 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -55.18 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -50.95 -55.27 18.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -58.98 -54.64 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.71 -68.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.84 -39.05 4.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 88' ' ' THR . 11.6 ttmt -67.1 -46.09 75.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.794 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.713 HD23 HD12 ' A' ' 25' ' ' ILE . 1.3 mt -49.32 -30.16 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -36.08 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' LYS . 1.3 m -81.63 -60.46 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.364 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -33.28 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.425 ' HA ' HG23 ' A' ' 25' ' ' ILE . 4.8 t80 -66.79 -46.74 74.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -74.81 -20.8 59.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.404 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 4.9 mtp180 -88.85 -0.27 57.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.8 p -107.22 -37.93 6.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 25.4 ptt180 -76.76 -2.38 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 91' ' ' LYS . 24.2 pt -93.35 24.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.01 78.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.3 p -153.03 153.09 32.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -42.57 110.16 0.24 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.33 4.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.568 1.825 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.8 t -147.74 103.08 3.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.1 p -152.15 156.34 39.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 p -97.92 86.41 3.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.91 126.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.04 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.76 93.56 0.49 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.17 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.963 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.68 153.81 25.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.09 98.24 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -85.86 128.53 34.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.92 140.77 7.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.435 ' HB3' HD23 ' A' ' 53' ' ' LEU . 14.3 m-85 -103.72 -60.55 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.94 -53.15 1.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.2 tt0 -44.04 -68.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -65.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.794 ' CE2' HG21 ' A' ' 18' ' ' THR . 54.2 t80 -44.34 -49.73 9.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' GLN . . . -51.73 -57.04 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -52.85 -42.41 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD23 ' OE1' ' A' ' 46' ' ' GLN . 10.8 mt -62.41 -72.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.794 HG21 ' CE2' ' A' ' 14' ' ' PHE . 41.7 p -38.56 -38.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.36 -68.88 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -45.02 -28.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.789 HD11 ' CB ' ' A' ' 46' ' ' GLN . 54.3 mt -78.86 -56.43 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -44.77 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -65.34 -55.43 18.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -52.62 -38.38 60.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.626 HD12 HD23 ' A' ' 86' ' ' LEU . 52.3 mt -62.65 -33.33 59.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.8 -8.94 59.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 31' ' ' LEU . 9.9 mtt180 -101.71 -21.12 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.523 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.86 -51.04 77.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 0.75 8.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -123.05 9.1 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.0 mt -109.61 153.72 42.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.55 1.816 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.37 -39.0 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -99.11 -29.17 13.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.9 tttt -59.53 -57.69 11.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.48 -54.84 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -67.33 -48.65 66.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 34.0 tpp -51.79 -55.24 21.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 47.8 t -49.99 -25.0 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.78 -41.04 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -56.46 -33.54 66.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 47' ' ' LEU . 17.8 t -75.66 -42.63 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.8 mt-10 -48.82 -32.53 8.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -69.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.789 ' CB ' HD11 ' A' ' 21' ' ' ILE . 19.9 mm-40 -38.68 -33.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 43' ' ' VAL . 44.2 mt -70.62 -62.38 1.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 5.4 pt-20 -53.82 -23.95 13.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -73.32 -55.96 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.586 ' HB1' ' CD1' ' A' ' 14' ' ' PHE . . . -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -60.12 -63.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -44.85 -39.46 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -52.1 -62.7 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.746 HD13 ' HG2' ' A' ' 80' ' ' LYS . 3.4 mt -42.32 -36.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -55.9 18.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.62 -43.01 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.548 ' HE2' HD23 ' A' ' 54' ' ' LEU . 32.7 mtm -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -77.61 -34.72 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.1 mt -74.59 -3.83 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.35 -50.02 3.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.636 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 1.3 t -52.33 -23.37 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -49.34 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.54 -28.29 66.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.722 HG23 ' HD2' ' A' ' 65' ' ' PRO . 3.6 mt -57.27 142.06 76.3 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.97 162.81 36.58 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.12 9.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -35.48 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 69' ' ' ARG . 46.3 t -89.71 -45.6 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -37.23 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 40.78 -94.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.569 1.168 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -57.43 -63.38 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.771 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.636 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.42 -47.89 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -55.3 -49.77 71.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' ARG . 2.6 m-20 -69.67 -58.61 3.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -44.29 -27.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -40.48 70.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -63.89 -28.59 69.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.295 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 0.6 OUTLIER -80.95 -54.4 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.058 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 75' ' ' ARG . 20.9 m-85 -47.81 -65.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.746 ' HG2' HD13 ' A' ' 54' ' ' LEU . 9.7 mttt -45.99 -49.19 16.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -53.14 -62.94 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -53.2 51.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.87 -70.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -42.45 -39.77 3.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -67.38 -45.27 76.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.626 HD23 HD12 ' A' ' 25' ' ' ILE . 1.6 mt -50.78 -30.57 14.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -37.02 75.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.6 m -80.75 -65.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -42.1 -33.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -64.52 -47.97 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.878 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.92 -31.6 63.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -78.23 2.62 17.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 110.356 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.16 -30.61 8.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -13.24 41.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.878 HG23 ' O ' ' A' ' 91' ' ' LYS . 1.6 pp -95.2 25.45 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -104.53 103.67 13.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.42 121.69 7.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -45.51 155.48 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.34 31.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.1 t -114.81 109.3 17.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.96 145.99 34.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 0.0 111.02 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -144.79 170.26 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.961 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -117.52 169.89 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.74 -139.99 6.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -122.51 162.6 21.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.776 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.85 161.19 30.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.27 166.88 12.71 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -135.7 153.83 51.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.85 148.08 5.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -118.56 -64.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.49 -50.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -43.68 -65.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -48.92 -62.83 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.799 ' CE2' HD21 ' A' ' 54' ' ' LEU . 60.9 t80 -45.2 -58.7 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.44 -51.78 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.0 t -56.98 -43.53 81.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 7.7 mt -58.58 -66.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.72 HG21 ' CE1' ' A' ' 14' ' ' PHE . 41.1 p -41.96 -58.35 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' ' 22' ' ' THR . . . -49.89 -60.58 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.47 -49.35 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.625 HD11 ' CB ' ' A' ' 46' ' ' GLN . 85.1 mt -59.14 -63.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -37.63 -42.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.2 m -62.63 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.1 OUTLIER -49.9 -31.17 11.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.694 HD12 HD23 ' A' ' 86' ' ' LEU . 66.1 mt -70.99 -34.76 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -84.63 -1.83 56.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -111.65 -16.41 13.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.676 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -53.47 -51.82 72.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.0 1.23 7.97 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.42 22.95 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD12 ' SD ' ' A' ' 39' ' ' MET . 48.0 mt -127.72 160.28 61.75 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.03 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -100.89 -47.96 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -82.86 -34.65 26.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 3.1 tttm -51.95 -57.95 7.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.68 -62.28 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -49.79 -55.64 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.676 ' HG2' HG23 ' A' ' 28' ' ' VAL . 3.9 ttm -54.41 -38.32 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 73.3 t -72.52 -4.99 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.0 -48.58 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -53.32 -38.73 63.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.705 HG12 HD12 ' A' ' 47' ' ' LEU . 35.0 t -66.76 -44.65 89.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.4 mt-10 -48.5 -28.32 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.38 -68.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.625 ' CB ' HD11 ' A' ' 21' ' ' ILE . 15.1 mm-40 -38.91 -35.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.705 HD12 HG12 ' A' ' 43' ' ' VAL . 44.4 mt -69.37 -60.35 2.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 51' ' ' ARG . 4.9 pt-20 -55.5 -23.56 26.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.68 -57.0 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.608 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -58.2 -27.43 63.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -56.97 -40.34 76.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -68.43 -30.65 69.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -61.63 -59.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.799 HD21 ' CE2' ' A' ' 14' ' ' PHE . 5.0 mt -45.11 -35.92 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.645 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.0 -61.46 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 64.7 mm-40 -58.96 -41.96 88.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.576 ' HE3' HD23 ' A' ' 54' ' ' LEU . 17.3 mtm -58.09 -47.89 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.06 -43.34 62.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 55' ' ' GLU . 9.3 mp -64.56 -12.15 41.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.9 mm-40 -101.38 -58.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.657 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.12 -27.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -35.83 79.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.293 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -80.43 -25.5 38.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.69 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.4 mt -59.57 141.5 88.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.99 164.92 32.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 2.53 6.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -108.43 -11.62 15.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 -2.43 9.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.57 45.34 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -87.65 123.49 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER 78.98 -54.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.657 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.85 -31.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' MET . 8.1 t -75.68 -63.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -51.53 -37.31 48.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.552 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -61.89 -53.09 60.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -54.77 9.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -52.72 -20.32 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.7 -60.59 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 12.0 m-85 -39.3 -56.41 1.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HG2' HD13 ' A' ' 54' ' ' LEU . 8.1 mttm -53.93 -51.52 63.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -48.81 -57.66 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -58.4 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.43 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.74 -46.96 4.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 88' ' ' THR . 4.0 mttt -61.86 -48.15 81.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.694 HD23 HD12 ' A' ' 25' ' ' ILE . 1.4 mt -47.51 -33.75 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.9 -38.02 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.4 m -73.43 -67.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' SER . 0.4 OUTLIER -40.78 -45.2 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.459 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -55.38 -44.5 76.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.1 OUTLIER -81.54 -17.73 47.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' THR . 5.2 mtt180 -94.72 0.01 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ASP . 15.4 p -103.93 -35.61 8.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HA ' ' CG1' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -71.7 -15.84 62.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 91' ' ' LYS . 4.0 pt -86.75 46.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -121.1 121.94 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.9 m 71.01 82.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.31 148.03 7.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 89.76 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.54 1.81 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 t -119.74 152.17 37.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t 67.93 168.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.558 1.161 . . . . 0.0 110.994 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t 63.74 153.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.983 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.94 -58.89 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 -166.45 27.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -155.26 135.64 13.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.024 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 132.59 53.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.979 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.97 170.68 53.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.68 150.69 46.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 0.74 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.97 138.63 5.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' GLU . 15.1 m-85 -106.16 -66.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 6.5 mt-10 -38.79 -52.11 1.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -47.65 -67.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -62.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.729 ' CE1' HG21 ' A' ' 18' ' ' THR . 38.5 t80 -49.83 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.81 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.7 t -70.68 -36.27 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.8 mt -71.66 -64.07 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.729 HG21 ' CE1' ' A' ' 14' ' ' PHE . 28.2 p -38.43 -47.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.44 -52.09 64.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.42 -36.82 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 mt -71.13 -60.14 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -40.7 -42.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.4 m -60.09 -58.28 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -54.14 -37.1 64.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.722 HD12 HD23 ' A' ' 86' ' ' LEU . 57.1 mt -60.93 -23.58 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.45 -20.2 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -97.23 -8.55 29.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' OG ' ' A' ' 93' ' ' SER . 0.9 OUTLIER -65.73 -50.13 56.53 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.11 8.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.21 -31.81 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ARG . 17.5 mt -67.21 158.66 80.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.95 174.14 13.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 3.21 5.85 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -96.61 -48.2 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.64 -31.83 18.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 71.2 tttt -54.75 -58.58 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.75 -55.18 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -66.48 -47.14 74.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 34.6 tpp -53.43 -53.51 50.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 37.7 t -53.49 -21.68 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.36 -40.86 10.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -55.43 -35.98 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.762 HG12 HD12 ' A' ' 47' ' ' LEU . 5.7 t -72.72 -38.76 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 1.7 mt-10 -54.12 -29.01 43.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -68.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 62.8 mm-40 -42.81 -32.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.762 HD12 HG12 ' A' ' 43' ' ' VAL . 27.6 mt -70.53 -52.26 23.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.2 -27.28 69.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.01 -57.02 6.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -59.55 -38.18 80.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -41.33 -40.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLU . 1.9 tt0 -65.88 -46.13 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -45.53 -57.27 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 14' ' ' PHE . 3.4 mt -51.66 -33.1 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.31 -51.15 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -66.09 -45.67 80.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.495 ' HE2' HD23 ' A' ' 54' ' ' LEU . 30.7 mtm -58.61 -38.38 77.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -78.24 -35.32 48.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -74.24 -4.06 33.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.49 -44.1 3.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG21 ' CD1' ' A' ' 72' ' ' TYR . 1.4 t -56.3 -18.44 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -51.54 68.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.76 -36.67 84.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.738 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -47.04 142.82 4.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.96 164.93 32.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.442 1.759 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 1.37 7.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -95.87 -40.55 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.5 t -85.13 -43.18 14.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.78 -30.36 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -37.34 -35.69 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.59 ' CD1' HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -42.38 -46.78 4.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.96 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ASN . 5.3 m -52.08 -65.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.1 t-20 -39.9 -44.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 79' ' ' TYR . 4.8 mmt180 -69.56 -56.06 8.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -37.85 -54.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -48.73 41.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -65.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 22.9 m-85 -41.58 -64.19 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -43.83 -47.85 8.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -59.31 -58.03 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -55.93 -56.71 17.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -64.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -48.3 -38.47 19.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -43.37 81.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.722 HD23 HD12 ' A' ' 25' ' ' ILE . 3.8 mt -51.79 -27.39 12.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.22 -42.35 59.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -75.37 -60.85 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.28 -32.06 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 1.7 t80 -70.14 -46.61 64.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.791 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.3 pttp -68.55 -24.53 64.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.89 -3.36 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.556 ' OG ' HG11 ' A' ' 28' ' ' VAL . 5.7 p -102.33 -39.83 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -71.22 -12.79 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 91' ' ' LYS . 17.5 pt -93.45 -46.87 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' A' ' 29' ' ' PRO . . . 39.8 48.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.3 m -156.74 165.98 34.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.97 164.06 15.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 p -149.32 -57.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.76 153.52 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.27 144.88 43.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.984 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -143.18 132.61 23.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 -132.68 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.43 169.47 18.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.32 143.61 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.66 108.61 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.417 1.073 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.58 146.07 42.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.67 106.43 2.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' ASP . 18.0 m-85 -81.33 -59.68 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' CD ' ' CZ ' ' A' ' 72' ' ' TYR . 1.5 mp0 -37.85 -53.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -43.76 -44.87 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -74.36 -39.72 62.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 53.0 t80 -59.17 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -51.44 29.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.11 -33.65 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.25 -67.97 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -41.81 -54.1 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.36 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.87 -66.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -48.71 -42.8 36.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.656 HG22 HD22 ' A' ' 86' ' ' LEU . 91.9 mt -61.47 -67.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.76 -44.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.0 m -59.89 -57.69 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -53.46 -40.1 65.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.807 HD12 HD23 ' A' ' 86' ' ' LEU . 65.6 mt -60.21 -33.44 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.63 -13.0 58.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -98.64 -20.59 16.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.02 -51.91 66.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 1.48 7.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -123.48 8.65 9.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' ARG . 31.6 mt -108.54 160.21 28.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.04 168.74 24.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.69 8.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -35.64 9.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -99.46 -26.35 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 35.2 tttt -62.25 -57.9 9.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -39.6 -57.43 1.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' ASN . 82.0 mm-40 -61.36 -45.91 92.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.7 tpp -56.47 -46.6 80.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 54.8 t -62.69 -13.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -101.79 -35.67 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.4 t-20 -63.93 -40.05 95.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 47' ' ' LEU . 15.1 t -66.38 -36.43 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 2.1 mt-10 -54.45 -39.61 67.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -55.79 5.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.513 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.9 mp0 -54.8 -26.62 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.5 mt -73.43 -60.63 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -57.1 -27.33 61.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.48 -34.9 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.9 -29.63 50.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -58.02 -55.76 30.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.62 -28.82 66.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD22 ' SD ' ' A' ' 57' ' ' MET . 2.2 mt -57.87 -64.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 88.9 mt -43.01 -37.71 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.881 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.29 -43.33 67.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.3 mm-40 -77.71 -55.42 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.805 ' SD ' HD22 ' A' ' 53' ' ' LEU . 3.0 mpp? -49.36 -35.38 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' HE3' ' A' ' 76' ' ' MET . 5.6 t0 -81.72 -36.23 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.881 HD12 ' O ' ' A' ' 55' ' ' GLU . 4.3 mt -75.59 -2.14 27.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -111.4 -57.55 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.6 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.5 t -48.58 -26.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -47.39 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -17.11 61.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.734 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.2 mt -67.64 142.45 96.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.734 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.98 165.21 31.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 1.04 8.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -98.38 -21.26 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 70' ' ' GLY . 40.2 t -108.98 -39.45 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' SER . 3.5 ttt180 -37.31 -32.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' MET . . . -37.7 134.18 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 80.61 -52.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -56.78 -45.41 82.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -58.05 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -46.63 -38.21 9.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 2.4 mmt180 -69.28 -59.98 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.46 ' HE3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -39.55 -34.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -61.62 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.163 . . . . 0.0 110.359 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.43 -47.14 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.059 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 13.9 m-30 -45.26 -69.63 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -39.51 -50.1 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -58.66 -47.5 84.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -65.39 -64.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.54 ' HG3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -38.55 -61.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 110.941 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -50.86 -48.24 45.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -62.39 -41.35 98.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.807 HD23 HD12 ' A' ' 25' ' ' ILE . 2.2 mt -52.01 -31.8 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -38.79 69.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -79.9 -59.94 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 0.3 OUTLIER -46.63 -38.58 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -58.07 -46.14 85.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 111.029 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.718 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -75.87 -31.28 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.401 ' HA ' HG12 ' A' ' 95' ' ' ILE . 3.5 mtt180 -78.67 3.35 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.6 p -110.26 -36.18 5.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -75.33 -20.81 58.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.718 HG23 ' O ' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -85.19 52.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.38 114.58 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.97 62.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.38 -158.56 19.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -46.21 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER 178.17 99.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 m 69.42 -66.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 100' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p -146.25 166.6 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.968 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.14 168.55 10.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.6 -162.62 23.25 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.6 106.28 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.22 -56.43 2.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.57 -177.17 20.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.98 164.71 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 0.734 . . . . 0.0 110.362 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.88 129.08 2.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.46 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 6.4 m-85 -117.36 -61.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' TYR . 4.8 mp0 -38.96 -49.95 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.97 -64.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.43 -54.2 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CE1' HD21 ' A' ' 54' ' ' LEU . 70.6 t80 -52.16 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.89 -37.66 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -72.27 -44.61 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' A' ' 50' ' ' ALA . 12.0 mt -47.73 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 22' ' ' THR . 32.1 p -35.37 -68.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 22' ' ' THR . . . -40.2 -50.69 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.83 -52.84 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.677 ' CG2' HG13 ' A' ' 43' ' ' VAL . 33.2 mt -57.24 -65.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -35.86 -42.35 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ALA . 27.1 m -61.65 -62.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HB3' ' SD ' ' A' ' 39' ' ' MET . 12.2 mttt -51.6 -27.88 12.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 89' ' ' ASP . 50.3 mt -70.28 -31.32 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -77.47 -21.13 53.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.98 -17.13 26.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -51.03 -51.4 68.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.06 -14.64 20.96 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.463 1.77 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -102.89 6.97 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ARG . 26.8 mt -107.18 159.98 28.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.06 170.67 19.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.34 7.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -43.41 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.78 -29.95 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 6.9 tttm -59.73 -56.06 26.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -50.21 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -70.69 -43.81 68.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.406 ' SD ' ' HB3' ' A' ' 24' ' ' LYS . 31.0 tpp -56.54 -53.99 51.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 90' ' ' PHE . 37.9 t -53.52 -21.21 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 -35.92 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.23 -42.72 86.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 21' ' ' ILE . 24.2 t -66.03 -36.19 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 90' ' ' PHE . 2.2 mt-10 -59.44 -27.92 66.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -81.09 -58.65 2.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.49 -30.01 38.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 86' ' ' LEU . 15.0 mt -68.07 -62.54 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 8.3 pt-20 -54.8 -32.06 59.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.8 mm-40 -66.14 -28.54 68.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -85.9 -29.99 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -39.11 64.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.94 -37.21 81.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -51.83 -65.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.679 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.5 mt -42.64 -35.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -70.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 1.5 mm-40 -48.98 -42.51 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.473 ' HB3' ' HE3' ' A' ' 76' ' ' MET . 12.7 mtm -58.05 -47.65 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -71.73 -47.61 52.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.89 -14.15 31.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.6 mm-40 -97.61 -52.9 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -44.64 -28.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -34.09 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -21.87 42.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.737 HG23 ' HD2' ' A' ' 65' ' ' PRO . 4.7 mt -69.89 142.54 90.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 166.39 29.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -102.83 -19.0 14.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.401 ' HB3' HG23 ' A' ' 64' ' ' ILE . 1.4 t -116.51 10.83 14.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -30.1 12.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -39.07 -40.7 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.52 -59.76 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -48.27 -55.22 11.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -54.58 14.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -49.54 -45.18 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -68.24 -47.31 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.473 ' HE3' ' HB3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -42.64 -53.45 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -32.73 72.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -67.36 -55.05 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 20.6 m-85 -49.53 -49.45 45.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HG3' HD13 ' A' ' 54' ' ' LEU . 34.1 mttt -55.86 -39.02 70.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -65.86 -42.13 90.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.78 -51.13 44.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 4.7 mmm -58.03 -65.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -45.32 -30.29 2.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -68.52 -43.68 76.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.608 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -51.13 -35.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.9 -19.22 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 85' ' ' LYS . 1.8 m -94.87 -59.0 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.448 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 2.8 m-20 -54.4 -24.62 20.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 44' ' ' GLU . 8.8 t80 -78.5 -37.64 42.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 95' ' ' ILE . 2.1 tttp -85.19 -13.5 49.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 -99.07 3.39 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.416 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -116.06 -38.4 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.0 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -76.53 0.16 20.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 91' ' ' LYS . 13.0 pt -94.16 23.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.92 93.02 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.5 m -99.98 97.23 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.13 -145.76 46.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 82.2 2.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.52 154.05 20.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.0 p -172.36 -57.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -169.91 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.4 p -167.72 142.9 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.998 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.85 113.67 3.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.49 -59.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.0 165.39 2.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.959 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.67 179.6 17.44 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 111.064 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -108.27 146.44 32.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.08 150.93 5.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' GLU . 35.7 m-85 -123.71 -67.1 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' TYR . 1.6 mp0 -38.75 -50.37 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -50.55 -56.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.247 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.52 -59.46 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.684 ' CE2' HG21 ' A' ' 18' ' ' THR . 90.4 t80 -51.54 -53.22 40.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.63 -46.88 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.7 t -63.64 -52.39 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.506 HD23 ' OE1' ' A' ' 46' ' ' GLN . 12.5 mt -50.83 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.684 HG21 ' CE2' ' A' ' 14' ' ' PHE . 24.4 p -42.77 -59.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.69 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -46.58 -51.05 16.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.764 HD11 ' HB3' ' A' ' 46' ' ' GLN . 58.7 mt -57.36 -60.86 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.49 -45.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ALA . 20.7 m -59.71 -62.07 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HG2' ' CE ' ' A' ' 39' ' ' MET . 0.3 OUTLIER -50.16 -34.66 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.357 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 HD23 ' A' ' 86' ' ' LEU . 69.6 mt -63.39 -31.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -81.45 -17.95 46.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -92.97 -18.29 22.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.3 -52.2 68.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -121.91 14.8 10.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.96 156.76 47.83 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 172.77 15.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.62 8.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -98.4 -36.76 9.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.85 -28.56 13.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 16.4 tttm -57.77 -57.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.33 -59.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -57.58 -42.4 83.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 24' ' ' LYS . 35.2 tpp -62.16 -38.55 89.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.441 ' O ' HG12 ' A' ' 40' ' ' VAL . 73.5 t -73.95 -4.26 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.08 -37.35 5.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.603 HG13 HG23 ' A' ' 21' ' ' ILE . 18.8 t -66.25 -34.33 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 40' ' ' VAL . 34.7 mm-40 -55.71 -33.27 64.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.71 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.764 ' HB3' HD11 ' A' ' 21' ' ' ILE . 15.4 mm-40 -50.32 -31.64 14.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD12 HG12 ' A' ' 43' ' ' VAL . 18.8 mt -71.27 -63.11 1.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 51' ' ' ARG . 8.4 pt-20 -56.03 -36.25 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.42 -25.0 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.58 -32.68 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.439 ' CD ' ' HA ' ' A' ' 48' ' ' GLU . 1.6 mtt180 -48.6 -41.13 29.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 53' ' ' LEU . 9.4 pt-20 -65.36 -41.62 93.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -50.8 -54.84 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' ' 14' ' ' PHE . 2.6 mt -54.31 -31.33 53.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.504 ' CD ' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -71.56 -53.95 12.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 41.3 mm-40 -64.24 -43.29 95.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 44.9 mtm -60.89 -40.49 93.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.06 -42.77 25.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD23 HH21 ' A' ' 62' ' ' ARG . 13.0 mt -65.69 -10.33 35.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 2.4 mm-40 -100.64 -51.58 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.586 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 1.2 t -49.61 -23.04 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.51 HH21 HD23 ' A' ' 59' ' ' LEU . 16.5 mtm180 -61.6 -52.6 63.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -63.24 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.715 HG23 ' HD2' ' A' ' 65' ' ' PRO . 2.7 mt -55.86 142.07 64.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 165.13 31.97 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.525 1.802 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 4.32 4.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 -17.1 13.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -114.32 -11.7 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' PRO . 4.0 ttp180 -70.8 -19.83 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' TYR . . . -38.92 144.46 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.1 -60.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.77 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -38.83 -41.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -68.39 -50.96 49.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -60.07 -24.78 64.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 3.9 mtm180 -84.07 -33.15 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.92 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -50.49 -30.4 12.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' GLN . 10.1 t -76.98 -63.25 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 21.2 m-85 -38.5 -37.5 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -48.48 41.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -50.55 -33.96 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -82.44 -53.97 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 110.354 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.31 -63.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.84 64.34 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -60.64 -41.75 95.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD23 HD12 ' A' ' 25' ' ' ILE . 1.3 mt -54.13 -38.38 65.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -23.89 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -87.61 -65.14 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.82 -36.45 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 2.8 t80 -64.53 -44.85 89.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -69.52 -38.38 77.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.875 ' HA ' HD12 ' A' ' 95' ' ' ILE . 6.3 mtp180 -72.5 -32.07 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.229 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -65.24 -42.8 92.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -76.05 -13.23 60.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 92' ' ' ARG . 15.1 mt -74.71 -44.52 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.76 126.06 25.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.5 t -126.27 114.79 18.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.0 -152.4 51.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 122.26 7.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 t -162.33 -60.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.23 100.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 p -81.86 123.05 28.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 p -78.62 161.84 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.4 -130.57 1.59 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.13 114.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t 178.44 148.15 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.07 -101.41 2.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 62.99 154.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.17 -153.43 30.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -120.07 -59.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 0.737 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.75 -57.07 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -39.76 -54.03 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.16 -58.7 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.846 ' CE2' HD21 ' A' ' 54' ' ' LEU . 59.7 t80 -49.56 -57.6 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.05 -54.28 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.0 t -54.59 -47.57 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 50' ' ' ALA . 14.7 mt -53.29 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.636 HG21 ' CE1' ' A' ' 14' ' ' PHE . 35.4 p -39.15 -70.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.0 -53.41 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -55.57 -51.24 67.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.651 HG22 ' CD1' ' A' ' 25' ' ' ILE . 54.2 mt -57.73 -63.79 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -37.62 -41.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.433 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' ALA . 4.0 m -62.17 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' O ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -47.19 -33.19 5.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.651 ' CD1' HG22 ' A' ' 21' ' ' ILE . 79.1 mt -67.5 -39.41 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' SER . . . -76.93 -10.61 59.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -99.23 -20.36 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.755 HG23 ' HG2' ' A' ' 39' ' ' MET . 0.9 OUTLIER -50.74 -50.49 73.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.97 2.97 6.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -129.87 34.96 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.527 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 52.2 mt -139.09 156.18 72.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.93 174.06 13.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 2.35 6.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 30.0 m-20 -100.55 -45.99 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.45 -35.81 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 22.6 tttt -52.44 -55.7 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' LYS . 1.7 tptt -40.25 -60.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 5.3 mp0 -52.9 -53.11 53.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.755 ' HG2' HG23 ' A' ' 28' ' ' VAL . 1.9 ttm -54.8 -39.41 68.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 24.0 t -72.39 -5.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.75 -47.76 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -55.03 -39.29 68.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.666 HG12 HD12 ' A' ' 47' ' ' LEU . 35.5 t -65.83 -42.56 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -51.68 -28.39 14.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -85.6 -67.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.508 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.4 mp0 -38.81 -38.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.666 HD12 HG12 ' A' ' 43' ' ' VAL . 48.2 mt -67.78 -57.03 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.22 -21.53 59.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 57.1 mm-40 -78.92 -57.41 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB2' HD13 ' A' ' 17' ' ' LEU . . . -59.17 -16.73 21.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -64.29 -60.09 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 pt-20 -50.98 -30.01 13.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -61.38 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.846 HD21 ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -45.59 -35.56 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.72 -64.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -55.43 -44.36 76.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.626 ' HE2' HD23 ' A' ' 54' ' ' LEU . 22.0 mtm -57.31 -43.32 83.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -74.33 -46.28 41.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 55' ' ' GLU . 10.3 mp -60.98 -14.84 25.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.7 mm-40 -98.87 -49.15 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.659 ' CG2' ' CG ' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -49.93 -22.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -64.87 -53.0 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.53 -38.71 81.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.727 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -41.41 142.34 0.99 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.02 161.74 38.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.53 8.79 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.44 1.758 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -95.0 -30.59 14.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' GLY . 21.7 t -97.39 -36.84 10.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HG3' ' CG2' ' A' ' 64' ' ' ILE . 5.1 mtp180 -57.4 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' SER . . . -129.57 -69.24 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' TYR . 10.6 mmt -72.53 -52.41 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 0.794 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CG ' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -36.2 -48.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m -54.44 -62.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.49 -47.57 57.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 13.1 mtm-85 -59.26 -50.07 75.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -48.81 59.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -58.76 -24.12 61.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -86.95 -62.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 10.6 m-85 -37.34 -58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -47.99 -59.32 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -43.17 -63.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.95 -59.21 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.58 -67.0 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.31 -35.43 43.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -41.08 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 1.3 mt -55.09 -35.71 64.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.08 -19.57 66.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.416 HG22 ' HD3' ' A' ' 92' ' ' ARG . 1.6 m -93.2 -69.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.92 -31.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -63.21 -48.01 80.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 92' ' ' ARG . 4.2 ptmt -68.92 -38.74 79.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.715 ' HA ' HD12 ' A' ' 95' ' ' ILE . 19.5 mtp85 -66.13 -47.65 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.44 ' OG ' ' CG2' ' A' ' 25' ' ' ILE . 2.5 m -44.44 -41.97 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.449 ' HD2' ' CG2' ' A' ' 40' ' ' VAL . 5.8 mtm105 -73.33 -35.37 66.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 92' ' ' ARG . 73.3 mt -59.08 -69.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 95' ' ' ILE . . . 39.23 82.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.09 165.5 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.13 115.61 3.2 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.99 4.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.1 t 63.07 129.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.34 -59.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p 177.85 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.64 149.9 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.81 -174.87 35.02 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.0 166.55 4.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 109.96 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -166.57 167.81 15.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.1 148.72 17.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.63 60.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 148.21 159.53 8.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 12.0 m-85 -107.97 -56.28 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 79' ' ' TYR . 1.1 mp0 -40.22 -48.68 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -47.28 -66.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -46.76 -59.21 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.715 ' CE1' HG21 ' A' ' 18' ' ' THR . 37.4 t80 -49.55 -65.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.55 -41.38 14.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -67.85 -35.64 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' OE1' ' A' ' 46' ' ' GLN . 8.3 mt -72.0 -62.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.715 HG21 ' CE1' ' A' ' 14' ' ' PHE . 70.7 p -40.48 -48.34 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -65.49 0.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.85 -27.86 2.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.583 HG22 ' CD1' ' A' ' 25' ' ' ILE . 62.4 mt -80.21 -63.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -38.17 -45.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.0 m -56.56 -57.73 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -54.81 -39.31 68.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.644 ' CD1' HD23 ' A' ' 86' ' ' LEU . 64.2 mt -60.22 -26.71 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.31 -15.88 32.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -94.53 -19.07 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.372 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.534 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -53.34 -50.93 80.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 1.22 7.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -121.98 3.24 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ARG . 29.5 mt -103.28 161.02 24.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 169.71 22.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.13 6.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.791 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 64.6 m-20 -97.56 -44.41 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.45 -32.76 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 20.8 tttt -53.41 -61.15 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -38.84 -56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 34' ' ' ASP . 3.6 mp0 -63.38 -46.28 87.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.3 tpp -56.29 -45.72 80.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 40.3 t -64.68 -12.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.54 -37.56 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -62.07 -38.48 88.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 47' ' ' LEU . 24.2 t -68.38 -34.35 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 1.2 mt-10 -58.71 -44.22 90.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -69.41 -52.98 21.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.456 ' OE1' ' CD2' ' A' ' 17' ' ' LEU . 51.0 mm-40 -59.15 -26.86 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 43' ' ' VAL . 12.0 mt -70.99 -57.23 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.2 pt-20 -60.07 -32.76 71.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 45' ' ' LYS . 2.1 mm-40 -63.43 -37.09 85.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.6 -22.62 29.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -51.81 67.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -55.63 -37.52 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.79 -58.82 4.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.551 HD23 ' HE2' ' A' ' 57' ' ' MET . 3.8 mt -51.97 -32.09 31.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.725 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -72.14 -46.99 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -69.89 -50.42 42.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.551 ' HE2' HD23 ' A' ' 54' ' ' LEU . 35.2 mtm -52.66 -42.09 64.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.11 -36.3 66.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -72.48 -7.53 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 62' ' ' ARG . 2.1 mm-40 -107.08 -50.64 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.675 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -46.37 -25.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -62.07 -39.32 92.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.68 -39.34 77.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.5 mt -45.07 142.44 2.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 159.62 41.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 59.79 5.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.451 1.764 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -167.58 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -81.17 -23.12 38.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NE ' HG13 ' A' ' 61' ' ' VAL . 6.8 mtp180 -54.86 -76.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 41.35 -98.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' ASN . 20.9 mmt -52.17 -65.76 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -37.69 -42.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -60.26 -52.2 66.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 71' ' ' MET . 14.3 t30 -72.18 -63.25 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 5.5 mtp85 -39.19 -34.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -60.98 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' C ' ' CD ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.47 -30.26 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER -75.68 -54.53 6.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 11' ' ' GLU . 8.8 m-85 -47.55 -32.18 5.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.445 ' HG2' HD13 ' A' ' 54' ' ' LEU . 34.5 mttt -77.01 -32.23 56.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -59.15 -36.15 74.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 16.1 tp10 -84.48 -51.49 6.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.409 ' HG3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -44.87 -60.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.09 -43.0 62.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -41.7 96.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD23 ' CD1' ' A' ' 25' ' ' ILE . 1.3 mt -52.28 -32.68 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.88 68.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -82.9 -62.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.83 -32.84 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.552 ' HA ' HG23 ' A' ' 25' ' ' ILE . 5.0 t80 -69.0 -46.47 67.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -73.72 -27.51 61.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -86.41 4.22 40.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.2 p -111.8 -32.74 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -85.65 3.3 41.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 91' ' ' LYS . 28.6 pt -106.0 18.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -108.44 121.09 44.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.8 t -141.34 -46.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -169.44 -146.96 5.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.09 39.22 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -165.63 143.83 5.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 t 52.23 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 100' ' ' SER . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.466 1.103 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.8 119.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.05 -72.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.74 -163.47 31.74 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.11 156.41 24.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.55 156.19 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.15 171.56 18.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.65 146.39 43.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.58 130.86 1.18 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -106.9 -58.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -41.38 -55.95 2.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -42.99 -64.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -56.73 5.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 83' ' ' MET . 87.4 t80 -52.06 -61.97 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.29 -38.82 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 36.7 t -69.85 -37.96 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' PHE . 7.5 mt -63.35 -66.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -42.55 -26.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 17' ' ' LEU . . . -86.47 -58.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -54.12 -24.14 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.591 HG23 HG13 ' A' ' 43' ' ' VAL . 31.8 mt -81.12 -67.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 18' ' ' THR . 1.0 OUTLIER -35.97 -44.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -57.99 -56.83 16.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -58.06 -28.34 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' ' 89' ' ' ASP . 53.5 mt -71.16 -31.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -18.77 58.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.229 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 11.9 mtt180 -92.36 -17.05 25.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.513 ' N ' ' CD ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -52.94 -52.1 68.37 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.95 0.76 8.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -122.73 7.98 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ARG . 28.3 mt -108.83 155.06 41.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.98 170.99 19.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 2.39 6.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.541 1.811 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.19 -42.17 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -94.53 -32.53 13.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 32' ' ' PRO . 26.1 tttm -56.03 -58.43 7.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -40.31 -52.89 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -68.39 -44.44 75.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 31.2 tpp -55.5 -56.02 25.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG13 ' CE1' ' A' ' 90' ' ' PHE . 42.4 t -51.68 -22.07 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.43 -34.88 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -59.18 -41.24 88.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.665 HG12 HD12 ' A' ' 47' ' ' LEU . 33.9 t -67.87 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.04 -31.01 70.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.06 -58.34 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -54.86 -28.29 49.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.665 HD12 HG12 ' A' ' 43' ' ' VAL . 13.7 mt -70.33 -61.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 49' ' ' GLU . 7.9 pt-20 -55.87 -32.04 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 2.9 mm-40 -65.23 -30.61 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.8 -26.28 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -55.45 -41.97 73.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.47 -37.4 85.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -62.6 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 80' ' ' LYS . 1.3 mt -47.8 -33.75 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.626 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 mt-10 -70.45 -53.0 18.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -63.34 -47.74 80.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.3 mtm -54.99 -44.23 74.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.28 -34.12 65.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 55' ' ' GLU . 0.2 OUTLIER -74.53 -7.19 52.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 62' ' ' ARG . 1.8 mm-40 -106.57 -51.13 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.715 ' CG2' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -47.06 -25.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.89 -34.43 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.86 -23.77 38.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.748 HG23 ' HD2' ' A' ' 65' ' ' PRO . 5.3 mt -62.59 142.54 96.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 164.64 32.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.62 7.53 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -100.75 -14.0 18.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -123.13 6.73 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.63 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -83.48 -63.62 1.69 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -76.96 -59.7 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.715 ' CD1' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -35.2 -35.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.064 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -69.91 -63.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.91 -39.82 78.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -61.27 -47.25 86.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -34.63 38.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.0 -13.81 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.28 -54.36 3.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 75' ' ' ARG . 15.8 m-85 -44.19 -46.05 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.674 ' HG3' HD13 ' A' ' 54' ' ' LEU . 12.5 mttm -60.76 -39.5 88.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -65.77 -49.62 67.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.47 ' CG ' ' HB ' ' A' ' 18' ' ' THR . 3.5 tp10 -57.95 -50.77 72.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 14' ' ' PHE . 1.2 mmm -60.93 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.14 -33.07 1.76 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.86 -43.83 82.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.609 ' HB3' HD21 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -51.5 -36.32 44.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -60.95 -24.93 66.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.343 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -89.35 -62.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.435 ' HB3' HG21 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -48.97 -31.95 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CE1' HG13 ' A' ' 40' ' ' VAL . 4.8 t80 -69.55 -38.84 77.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 95' ' ' ILE . 16.4 tttt -81.61 -32.2 32.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -81.13 5.56 16.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.442 ' HB3' ' CG1' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -111.54 -44.36 3.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -73.28 -3.45 27.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 91' ' ' LYS . 31.9 pt -94.78 27.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . . . -109.04 144.33 37.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.81 -54.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -121.09 -171.86 14.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -44.28 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.561 1.821 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.73 130.2 31.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.1 p 178.43 -59.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 179.984 . . . . . . . . 0 0 . 1 stop_ save_