data_1p83_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 1p83 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 9' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.5 m-20 -98.51 -10.93 22.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -103.02 -24.55 13.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.651 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.4 pp -93.65 -17.55 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.63 ' C ' HD21 ' A' ' 17' ' ' ASN . 33.1 mt -88.72 -56.81 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.3 t -38.12 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -66.02 -52.76 46.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.17 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.63 HD21 ' C ' ' A' ' 13' ' ' LEU . 34.7 m-80 -89.86 -34.35 16.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 2.2 pt-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 14' ' ' VAL . 84.1 m-20 -99.34 -10.85 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.6 mmtp -100.94 -25.66 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.618 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.93 -17.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.422 1.077 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.52 -57.11 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.2 t -39.08 -24.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.34 -57.28 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.651 1.22 . . . . 0.0 110.382 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.86 -8.74 58.47 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.03 -31.56 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 14' ' ' VAL . 25.3 t0 -96.62 -8.96 30.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.3 mmtp -102.25 -26.32 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.615 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.75 -17.57 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.4 mt -90.79 -57.08 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.2 t -39.2 -24.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.53 -57.34 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.69 -8.93 58.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.088 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.54 14.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.318 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 14' ' ' VAL . 77.0 m-20 -98.41 -17.26 18.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -93.71 -25.18 17.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.583 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.47 -18.7 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.655 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 42.9 mt -90.82 -56.55 3.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.0 t -38.35 -25.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.25 -57.77 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.48 -8.49 57.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.655 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.86 -31.58 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.277 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.604 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' O ' HG23 ' A' ' 14' ' ' VAL . 24.5 t0 -101.68 -16.83 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -23.84 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.598 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -94.04 -18.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.64 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.0 mt -91.3 -56.22 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.1 t -38.43 -25.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.555 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.2 -57.57 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -76.76 -8.89 58.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.64 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.75 -31.91 12.41 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.601 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.2 pt-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.43 ' O ' HG23 ' A' ' 14' ' ' VAL . 50.0 t0 -102.63 -10.73 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 3.1 mmtp -102.73 -25.45 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.648 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.95 -16.25 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 36.2 mt -92.32 -56.87 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.3 t -39.46 -24.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.47 -57.07 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.71 -9.07 58.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.63 14.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 14' ' ' VAL . 36.7 t70 -99.11 -16.83 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -94.42 -24.27 17.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.215 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.585 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -93.08 -19.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.675 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.1 mt -90.67 -56.73 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.1 t -38.73 -25.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.53 -57.04 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.32 -8.72 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.57 -31.88 13.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' HG23 ' A' ' 14' ' ' VAL . 32.7 t70 -99.88 -17.9 17.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -93.34 -24.5 18.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.583 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.88 -19.28 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.676 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 38.2 mt -90.11 -56.89 3.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.1 t -38.64 -25.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.85 -57.4 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.229 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.67 -8.49 57.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.79 -31.73 13.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 2.0 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -100.87 -9.16 21.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 8.4 mmtt -104.86 -24.43 12.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.678 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -94.75 -16.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.688 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.2 mt -91.38 -57.16 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.5 t -39.63 -23.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.58 -56.89 4.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.76 -9.1 58.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.688 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -92.92 -32.46 14.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 14' ' ' VAL . 91.1 m-20 -95.91 -10.36 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 1.9 mmtp -100.27 -26.61 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.069 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.605 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.48 -17.64 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.652 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.7 mt -92.01 -56.33 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.0 t -38.91 -24.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.233 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -58.0 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.238 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.63 -8.8 58.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.652 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.04 -31.36 13.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.554 1.159 . . . . 0.0 109.383 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.602 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.7 t70 -95.83 -17.76 20.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.99 -24.94 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.575 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.7 pp -92.46 -19.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.684 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 39.4 mt -90.04 -57.04 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.1 t -38.72 -24.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.568 1.167 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.94 -56.95 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.384 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.81 -8.72 58.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.684 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -93.76 -32.47 13.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -97.53 -9.8 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 4.2 mmtt -102.28 -25.41 13.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.415 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.641 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.52 -16.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -92.89 -56.26 3.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.383 1.052 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.1 t -38.93 -24.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.82 -57.81 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.197 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.98 -9.2 58.53 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.167 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.06 -31.66 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.7 pt-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.2 t70 -96.94 -17.85 19.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -23.39 17.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.601 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.5 pp -92.08 -21.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.634 ' C ' HD21 ' A' ' 17' ' ' ASN . 27.3 mt -87.24 -57.22 3.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.599 1.187 . . . . 0.0 109.372 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.1 t -38.19 -26.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.12 -52.73 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.16 -12.5 61.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.634 HD21 ' C ' ' A' ' 13' ' ' LEU . 35.2 m-80 -89.81 -34.52 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.225 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.614 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 2.3 pt-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -99.64 -16.08 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -95.14 -24.37 16.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.578 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -93.32 -18.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 40.7 mt -90.75 -56.68 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.1 t -38.72 -25.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.562 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.52 -57.64 3.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -78.0 -8.77 58.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.34 -31.94 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.76 -10.38 21.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -102.74 -25.16 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.656 ' C ' HD11 ' A' ' 12' ' ' ILE . 2.3 pp -93.96 -16.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.643 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.7 mt -92.6 -56.26 3.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.95 -25.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -57.98 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.94 58.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.643 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.1 -31.6 12.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.597 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -98.41 -9.88 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.4 mmtp -103.44 -24.7 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.66 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -93.81 -17.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.696 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.49 -57.26 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.3 t -39.05 -24.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.0 -56.93 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.29 -8.93 58.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.696 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.56 -31.43 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.587 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 2.0 pt-20 . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.615 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 23.0 t70 -95.77 0.78 52.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -110.67 -24.8 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.637 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -99.98 -15.61 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.66 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 30.4 mt -95.59 -56.08 2.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.615 ' CG1' ' O ' ' A' ' 10' ' ' ASP . 23.9 m -39.67 -24.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.2 -58.06 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.67 -9.15 58.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.13 -31.06 14.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.593 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.309 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -99.25 -9.57 23.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.3 mmtp -102.41 -24.7 13.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.64 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.89 -17.82 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.686 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 31.3 mt -90.54 -57.09 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.2 t -39.29 -24.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.172 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.577 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.24 -56.95 4.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.185 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.53 -9.08 58.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.686 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.22 -32.33 14.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.579 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -99.72 -10.48 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.0 mmtt -103.55 -24.99 13.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.658 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.69 -16.44 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.599 1.187 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.2 mt -90.91 -57.42 2.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.4 t -39.51 -24.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.579 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.86 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.23 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.12 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -92.94 -32.16 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.585 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.1 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -103.79 -12.22 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -101.51 -24.33 14.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.678 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.2 pp -95.08 -16.8 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.9 mt -91.41 -56.84 2.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.365 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.3 t -39.53 -24.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.568 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.7 -57.5 3.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.0 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.396 1.06 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.67 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.99 -31.21 14.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.2 pt-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -30.05 -41.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.4 p -45.07 -92.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.494 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 0.2 OUTLIER -56.82 -21.05 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 109.343 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' LYS . 1.4 mm -82.77 86.65 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.623 ' HB3' ' CG ' ' A' ' 9' ' ' GLU . 6.4 mmtp 66.09 60.92 1.05 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.544 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 18.2 Cg_endo -75.04 -33.33 4.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -89.24 -33.26 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.623 ' CG ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -57.44 -17.44 13.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.5 m-20 -98.51 -10.93 22.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 4.6 mmtt -103.02 -24.55 13.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.651 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.65 -17.55 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.63 ' C ' HD21 ' A' ' 17' ' ' ASN . 33.1 mt -88.72 -56.81 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.3 t -38.12 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -66.02 -52.76 46.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.17 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.63 HD21 ' C ' ' A' ' 13' ' ' LEU . 34.7 m-80 -89.86 -34.35 16.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.707 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.2 pt-20 96.53 -14.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.707 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 144.68 -6.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.661 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 8.5 mt-10 -71.52 -89.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.57 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 161.8 -43.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 110.355 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.8 m -155.51 -58.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.429 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.1 p -126.26 -166.36 1.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.661 ' HA ' ' HE2' ' A' ' 20' ' ' GLU . . . -66.97 111.9 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.664 ' HG2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -59.46 -141.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.664 ' N ' ' HG2' ' A' ' 2' ' ' LYS . 2.3 t 86.16 -21.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 5' ' ' ILE . 2.6 m-80 -82.52 -41.91 19.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.752 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -52.38 -172.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.752 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 2.8 mmpt? 116.62 -45.5 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.0 -27.71 9.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -107.64 -26.68 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -77.96 -11.28 59.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 110.229 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 14' ' ' VAL . 84.1 m-20 -99.34 -10.85 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.556 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.6 mmtp -100.94 -25.66 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.618 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.93 -17.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.422 1.077 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.52 -57.11 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.2 t -39.08 -24.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.34 -57.28 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.651 1.22 . . . . 0.0 110.382 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.86 -8.74 58.47 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.03 -31.56 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.801 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 93.7 -6.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 120.83 4.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.196 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' C ' ' CG2' ' A' ' 21' ' ' THR . 4.1 mt-10 -83.6 -87.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.492 ' CG2' ' C ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER 63.86 -158.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.361 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.4 p -86.36 -155.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 110.352 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.3 p -49.9 167.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.472 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.92 171.55 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.236 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.555 ' HB2' ' CG1' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -35.16 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.555 ' CG1' ' HB2' ' A' ' 1' ' ' ALA . 2.4 p -49.41 -107.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.093 . . . . 0.0 109.291 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.513 ' N ' ' CG2' ' A' ' 3' ' ' VAL . 0.8 OUTLIER -109.45 -16.98 13.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 1' ' ' ALA . 1.5 mm -80.71 120.18 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.593 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 34.78 55.46 1.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.593 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.01 -28.66 8.96 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.415 1.745 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -114.7 -32.0 5.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' HG2' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -72.34 -15.15 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 25.3 t0 -96.62 -8.96 30.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.3 mmtp -102.25 -26.32 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.615 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.75 -17.57 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.4 mt -90.79 -57.08 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 HG22 ' CG2' ' A' ' 21' ' ' THR . 2.2 t -39.2 -24.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.53 -57.34 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.69 -8.93 58.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.088 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.54 14.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.796 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 93.75 -6.78 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.318 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.796 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.69 4.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' A' ' 21' ' ' THR . 5.8 mt-10 -81.13 -86.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.491 HG23 ' CB ' ' A' ' 17' ' ' ASN . 1.3 p 61.96 -149.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 21' ' ' THR . 51.7 m -94.63 -58.51 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.173 . . . . 0.0 110.429 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.7 p -85.84 -164.84 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.76 -70.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.546 ' O ' ' C ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -27.62 -46.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.533 ' HB ' ' HZ1' ' A' ' 2' ' ' LYS . 1.1 p -37.34 -80.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.437 ' N ' HG23 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -43.74 -37.09 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.756 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -65.15 -137.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.382 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.756 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 1.9 mmpt? 116.15 -45.09 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.62 1.2 . . . . 0.0 109.279 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -75.02 -26.98 10.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -107.51 -23.0 12.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -83.72 -9.06 59.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 14' ' ' VAL . 77.0 m-20 -98.41 -17.26 18.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -93.71 -25.18 17.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.583 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.47 -18.7 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.655 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 42.9 mt -90.82 -56.55 3.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG22 ' CG2' ' A' ' 21' ' ' THR . 2.0 t -38.35 -25.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.25 -57.77 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.48 -8.49 57.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.655 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.86 -31.58 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.277 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.788 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.44 -8.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.348 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.788 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 132.04 -0.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' THR . 5.9 mt-10 -79.9 -90.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.654 ' OG1' ' N ' ' A' ' 22' ' ' THR . 0.4 OUTLIER 42.04 -91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.432 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.654 ' N ' ' OG1' ' A' ' 21' ' ' THR . 1.3 m -141.01 -57.34 0.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 110.363 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -83.75 -170.92 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.3 -66.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.962 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.673 ' HG2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -31.33 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.673 ' N ' ' HG2' ' A' ' 2' ' ' LYS . 1.4 p -62.18 -90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.498 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 0.3 OUTLIER -40.7 -29.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.511 HG12 ' C ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -51.69 -34.77 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.596 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.1 OUTLIER 79.75 76.01 0.13 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.231 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -74.99 -30.65 6.94 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -115.47 -20.4 10.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.596 ' HG3' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -86.9 -7.26 58.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.344 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 24.5 t0 -101.68 -16.83 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -94.81 -23.84 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.598 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -94.04 -18.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.64 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.0 mt -91.3 -56.22 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.508 HG22 ' CG2' ' A' ' 21' ' ' THR . 2.1 t -38.43 -25.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.555 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.2 -57.57 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -76.76 -8.89 58.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.64 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.75 -31.91 12.41 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.32 -9.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 133.91 -1.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' C ' ' CG2' ' A' ' 21' ' ' THR . 6.2 mt-10 -78.92 -90.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.508 ' CG2' HG22 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 39.63 91.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.624 1.203 . . . . 0.0 110.485 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 m -136.7 -45.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.633 1.208 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.4 p -65.17 170.51 4.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.481 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 47.23 41.42 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.576 ' C ' ' H ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.563 ' HE3' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER 68.77 -41.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.331 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.576 ' H ' ' C ' ' A' ' 1' ' ' ALA . 3.4 p -64.56 -114.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.537 ' N ' ' CG2' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -93.91 -22.87 18.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.513 ' CG1' ' N ' ' A' ' 1' ' ' ALA . 2.8 mm -50.44 -65.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.381 1.051 . . . . 0.0 109.274 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.627 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 31.6 mtpt 63.03 53.45 1.77 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.627 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.0 -39.18 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -111.19 -36.62 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.507 ' CG ' ' HE3' ' A' ' 6' ' ' LYS . 1.2 pt-20 -66.08 -9.74 33.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 50.0 t0 -102.63 -10.73 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 3.1 mmtp -102.73 -25.45 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.648 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.95 -16.25 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 36.2 mt -92.32 -56.87 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.476 HG22 ' CG2' ' A' ' 21' ' ' THR . 2.3 t -39.46 -24.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.47 -57.07 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.71 -9.07 58.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.63 14.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 93.8 -6.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.49 4.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.37 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' O ' ' OG1' ' A' ' 21' ' ' THR . 2.9 mt-10 -81.33 -86.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.49 HG23 ' CB ' ' A' ' 17' ' ' ASN . 1.3 p 61.88 171.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.456 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 m -90.26 177.96 6.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.1 p 39.88 -159.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.37 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 41.42 74.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.977 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.649 ' CB ' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' NZ ' ' HB ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -38.91 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.589 ' CG1' ' H ' ' A' ' 4' ' ' ASN . 13.8 p -98.67 -124.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.589 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 3.8 m-80 -104.61 -23.31 13.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.649 ' O ' ' CB ' ' A' ' 1' ' ' ALA . 1.4 mm -25.01 138.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.606 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER 38.4 54.75 4.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.01 -28.99 8.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -115.3 -21.31 9.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.597 ' HG3' ' HA ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -86.24 -9.57 56.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 36.7 t70 -99.11 -16.83 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -94.42 -24.27 17.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.215 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.585 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -93.08 -19.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.675 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.1 mt -90.67 -56.73 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG22 ' CG2' ' A' ' 21' ' ' THR . 2.1 t -38.73 -25.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.53 -57.04 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.32 -8.72 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.57 -31.88 13.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.794 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 93.86 -7.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.794 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.93 4.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' O ' ' OG1' ' A' ' 21' ' ' THR . 4.5 mt-10 -81.25 -86.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.494 HG22 ' CB ' ' A' ' 17' ' ' ASN . 1.3 p 62.15 -176.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' THR . 10.0 m -107.94 -176.92 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' SER . 9.6 p 38.43 -144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 41.32 -98.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' THR . 53.1 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.695 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.546 ' HZ1' ' HB ' ' A' ' 3' ' ' VAL . 0.2 OUTLIER 60.03 -59.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.355 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.695 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.3 p -57.1 -93.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.463 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 0.3 OUTLIER -43.36 -26.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 6' ' ' LYS . 2.2 mm -55.99 -29.62 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.594 ' HA ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER 35.33 68.51 1.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.508 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 18.4 Cg_endo -74.91 -31.51 6.31 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.557 1.82 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -111.63 -22.44 11.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.594 ' HG3' ' HA ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -84.98 -8.07 58.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 32.7 t70 -99.88 -17.9 17.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -93.34 -24.5 18.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.583 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.88 -19.28 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.676 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 38.2 mt -90.11 -56.89 3.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 21' ' ' THR . 2.1 t -38.64 -25.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.85 -57.4 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.229 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.67 -8.49 57.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.79 -31.73 13.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.0 pt-20 93.87 -6.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.63 4.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' OG1' ' A' ' 21' ' ' THR . 5.1 mt-10 -81.28 -86.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 HG21 ' CB ' ' A' ' 17' ' ' ASN . 1.3 p 62.11 -150.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.479 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 21' ' ' THR . 2.9 m -150.56 168.64 23.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.46 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p 39.14 -152.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 45.12 92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.366 1.041 . . . . 0.0 109.956 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -36.92 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.59 ' CG1' ' H ' ' A' ' 4' ' ' ASN . 10.8 p -98.14 -125.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.59 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 3.7 m-80 -99.61 -29.59 12.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.693 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -140.69 -153.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.775 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 5.0 mtpt 51.58 44.86 2.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.775 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.04 -34.11 4.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.414 1.744 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.578 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -85.36 -29.3 24.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.535 ' HE2' ' HZ2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -56.01 -17.96 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.23 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -100.87 -9.16 21.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 8.4 mmtt -104.86 -24.43 12.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.678 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -94.75 -16.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.688 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.2 mt -91.38 -57.16 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.5 t -39.63 -23.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.58 -56.89 4.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.76 -9.1 58.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.688 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -92.92 -32.46 14.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.713 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 92.51 -3.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.713 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 104.38 16.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.4 mm-40 -77.27 -86.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' GLU . 79.1 p -36.28 150.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 p -128.74 -101.88 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.468 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -135.97 -166.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.455 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.79 -48.82 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.56 1.163 . . . . 0.0 109.963 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.669 ' HG2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -59.53 -140.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.669 ' N ' ' HG2' ' A' ' 2' ' ' LYS . 2.0 t 83.68 -14.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.553 ' O ' ' C ' ' A' ' 5' ' ' ILE . 3.3 m-80 -103.94 -34.73 8.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.842 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -27.2 -61.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 30.78 52.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.65 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.17 -25.12 11.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.799 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -111.77 -28.69 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -76.49 -14.5 60.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.247 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 91.1 m-20 -95.91 -10.36 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 1.9 mmtp -100.27 -26.61 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.069 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.605 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.48 -17.64 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.652 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.7 mt -92.01 -56.33 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' CG2' HG23 ' A' ' 21' ' ' THR . 2.0 t -38.91 -24.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.233 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -58.0 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.238 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.63 -8.8 58.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.652 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.04 -31.36 13.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.554 1.159 . . . . 0.0 109.383 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.36 -8.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 131.06 0.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' THR . 10.3 mt-10 -80.36 -89.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 110.206 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.654 ' OG1' ' N ' ' A' ' 22' ' ' THR . 0.4 OUTLIER 41.78 -91.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.654 ' N ' ' OG1' ' A' ' 21' ' ' THR . 41.7 m -139.19 -62.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.455 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.1 p -83.05 -158.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.468 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.87 136.84 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.617 ' HE3' ' CA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -78.66 -132.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.551 HG21 ' HE3' ' A' ' 2' ' ' LYS . 1.3 t 77.04 -20.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.532 ' C ' HG23 ' A' ' 5' ' ' ILE . 2.6 m-80 -85.32 -39.37 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.59 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.38 174.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 33.52 52.94 1.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.628 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.06 -23.39 13.74 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.442 1.759 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -113.84 -26.39 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -82.52 -11.37 58.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.349 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 23.7 t70 -95.83 -17.76 20.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -92.99 -24.94 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.575 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.7 pp -92.46 -19.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.684 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 39.4 mt -90.04 -57.04 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.1 t -38.72 -24.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.568 1.167 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.94 -56.95 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.384 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.81 -8.72 58.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.684 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -93.76 -32.47 13.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.733 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 92.61 -3.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.733 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 104.35 16.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.8 mm-40 -77.43 -86.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' GLU . 77.3 p -36.05 108.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 m -129.84 -83.01 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.1 p -81.76 170.73 15.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.15 57.09 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.388 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.554 ' C ' ' H ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HE3' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER 66.36 -45.71 0.42 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.579 1.174 . . . . 0.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.554 ' H ' ' C ' ' A' ' 1' ' ' ALA . 7.6 p -73.34 -116.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.353 1.033 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.548 ' H ' ' CG1' ' A' ' 3' ' ' VAL . 2.3 p30 -43.65 -46.99 7.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.405 ' N ' HD13 ' A' ' 5' ' ' ILE . 1.1 mm -84.07 120.65 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.648 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 4.5 mmtp 59.23 52.51 4.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.648 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -74.93 -28.07 9.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.041 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -96.48 -29.15 14.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.574 1.171 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.564 ' CG ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -60.85 -18.97 59.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -97.53 -9.8 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 4.2 mmtt -102.28 -25.41 13.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.415 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.641 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.52 -16.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -92.89 -56.26 3.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.383 1.052 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG22 ' CG2' ' A' ' 21' ' ' THR . 2.1 t -38.93 -24.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.82 -57.81 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.197 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.98 -9.2 58.53 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.167 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.06 -31.66 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.787 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.7 pt-20 94.12 -9.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.787 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 132.99 -0.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' C ' ' CG2' ' A' ' 21' ' ' THR . 7.4 mt-10 -79.2 -90.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.498 ' CG2' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER 39.74 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 p -98.1 -147.72 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.458 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.0 p -47.83 167.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.49 -49.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.55 ' HZ2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -32.31 -34.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.58 ' N ' ' O ' ' A' ' 1' ' ' ALA . 2.1 p -54.63 -101.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.595 ' C ' HG23 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -39.62 -53.59 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.65 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -141.92 -146.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.811 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.2 mmpp? 56.78 41.61 0.79 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.811 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -74.99 -33.74 4.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.545 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -91.63 -28.42 17.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.06 -15.42 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.2 t70 -96.94 -17.85 19.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -94.7 -23.39 17.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.601 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.08 -21.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.634 ' C ' HD21 ' A' ' 17' ' ' ASN . 27.3 mt -87.24 -57.22 3.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.599 1.187 . . . . 0.0 109.372 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.1 t -38.19 -26.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.12 -52.73 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.16 -12.5 61.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.634 HD21 ' C ' ' A' ' 13' ' ' LEU . 35.2 m-80 -89.81 -34.52 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.225 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.698 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.3 pt-20 96.63 -14.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.698 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 144.64 -6.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.226 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.572 ' O ' ' CB ' ' A' ' 21' ' ' THR . 8.5 mt-10 -71.37 -89.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.572 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 161.85 -44.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.452 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -163.21 -59.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.4 p -105.3 -152.45 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.649 1.218 . . . . 0.0 110.335 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.563 ' HA ' ' HE2' ' A' ' 20' ' ' GLU . . . -113.66 162.96 15.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.598 1.186 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.354 1.034 . . . . 0.0 110.009 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.572 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 65.67 -46.15 0.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 0.0 109.214 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.7 p -55.6 -104.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.64 ' O ' ' O ' ' A' ' 5' ' ' ILE . 0.7 OUTLIER -108.38 -17.13 14.07 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.541 1.15 . . . . 0.0 109.242 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.823 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 44.22 110.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.798 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -53.81 -33.44 15.01 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.823 ' HD2' ' C ' ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.05 -18.22 18.8 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.543 ' HB2' ' CG1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -111.49 -19.57 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.739 ' N ' ' O ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -86.19 -9.31 56.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -99.64 -16.08 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -95.14 -24.37 16.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.578 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -93.32 -18.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 40.7 mt -90.75 -56.68 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG22 ' CG2' ' A' ' 21' ' ' THR . 2.1 t -38.72 -25.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.52 -57.64 3.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -78.0 -8.77 58.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.34 -31.94 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.801 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.04 -7.57 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 128.54 1.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' THR . 8.3 mt-10 -78.66 -88.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.616 1.198 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.631 ' OG1' ' N ' ' A' ' 22' ' ' THR . 0.2 OUTLIER 34.3 -93.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 110.415 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.631 ' N ' ' OG1' ' A' ' 21' ' ' THR . 39.7 m 57.93 -87.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' THR . 81.0 p -43.44 166.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.374 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.19 45.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.346 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.744 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.744 ' O ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 49.11 142.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.354 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.623 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 1.9 p 153.28 -102.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.359 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.545 ' C ' HG23 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -74.48 -23.43 58.87 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.603 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.15 -174.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.681 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.2 mmpt? 38.42 50.04 2.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.89 -33.12 4.98 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -88.8 -30.39 19.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.525 ' CD ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -57.92 -17.37 16.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.76 -10.38 21.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 6.5 mmtt -102.74 -25.16 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.656 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -93.96 -16.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.7 mt -92.6 -56.26 3.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.488 ' CG2' HG22 ' A' ' 21' ' ' THR . 2.1 t -38.95 -25.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -57.98 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.94 58.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.643 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.1 -31.6 12.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.781 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.05 -8.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.781 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 131.31 -0.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' C ' ' CG2' ' A' ' 21' ' ' THR . 10.0 mt-10 -79.82 -89.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.488 HG22 ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER 40.68 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.497 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.6 m -108.78 -88.0 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.3 p -66.63 167.17 11.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.3 171.33 8.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.92 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.628 ' HE3' ' CA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -78.37 -132.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 2' ' ' LYS . 1.4 t 76.99 -20.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.585 ' C ' HG23 ' A' ' 5' ' ' ILE . 2.5 m-80 -85.37 -39.31 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.585 HG23 ' C ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -139.62 -177.86 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.383 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.651 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 9.1 mmtp 35.07 52.31 1.43 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.158 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.651 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.92 -29.99 7.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -93.87 -29.45 15.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.533 ' CG ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -58.95 -18.97 38.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -98.41 -9.88 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.4 mmtp -103.44 -24.7 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.66 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -93.81 -17.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.696 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.49 -57.26 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.3 t -39.05 -24.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.0 -56.93 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.29 -8.93 58.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.696 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.56 -31.43 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.809 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.0 pt-20 93.39 -6.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.809 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 118.98 4.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' C ' ' CG2' ' A' ' 21' ' ' THR . 4.0 mt-10 -85.54 -87.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.515 ' CG2' ' C ' ' A' ' 20' ' ' GLU . 1.2 p 69.0 -54.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' OG1' ' A' ' 21' ' ' THR . 46.3 p -147.01 -140.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.339 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -65.6 172.66 3.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.558 1.161 . . . . 0.0 110.444 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.14 118.31 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.623 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.518 ' O ' ' CD1' ' A' ' 5' ' ' ILE . 0.7 OUTLIER -34.33 -36.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.513 ' O ' HD11 ' A' ' 5' ' ' ILE . 1.4 p -46.45 -96.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.67 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -95.24 -8.47 35.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.233 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.672 ' O ' ' C ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 46.07 73.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.672 ' C ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER 14.89 69.78 0.15 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.555 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -74.97 -19.47 17.89 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -115.03 -31.34 6.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -72.86 -18.41 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.615 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 23.0 t70 -95.77 0.78 52.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -110.67 -24.8 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.637 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -99.98 -15.61 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.66 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 30.4 mt -95.59 -56.08 2.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.615 ' CG1' ' O ' ' A' ' 10' ' ' ASP . 23.9 m -39.67 -24.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.2 -58.06 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.67 -9.15 58.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.13 -31.06 14.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.808 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.09 -7.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.808 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 125.74 2.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' ' OG1' ' A' ' 21' ' ' THR . 7.4 mt-10 -78.44 -86.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.493 HG22 ' CB ' ' A' ' 17' ' ' ASN . 1.4 p 60.38 28.65 18.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 p -59.79 140.41 56.57 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.458 1.098 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.0 p 46.36 -153.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.18 177.77 11.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 109.335 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.538 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.658 ' HD2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -56.8 -142.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.658 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER 84.68 -43.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.623 ' O ' ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -111.51 -20.92 12.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.83 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 39.72 103.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.849 ' CE ' ' HE2' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -59.54 -30.85 8.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.83 ' HD2' ' C ' ' A' ' 5' ' ' ILE . 18.4 Cg_endo -74.91 -22.79 14.65 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.535 1.808 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -104.0 -25.36 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.849 ' HE2' ' CE ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -69.01 -16.03 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 110.323 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -99.25 -9.57 23.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.3 mmtp -102.41 -24.7 13.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.64 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.89 -17.82 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.686 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 31.3 mt -90.54 -57.09 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.2 t -39.29 -24.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.172 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.577 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.24 -56.95 4.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.185 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.53 -9.08 58.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.686 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.22 -32.33 14.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.724 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 92.56 -3.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.724 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 104.29 16.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.7 mm-40 -77.4 -86.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLU . 78.7 p -36.1 127.86 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.382 1.051 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 p -113.02 165.4 12.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.4 p 46.38 -160.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.595 1.185 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.24 -55.02 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -30.65 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.5 p -57.42 -94.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -37.29 -54.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.649 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -144.13 -161.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.567 ' HB2' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -140.67 73.44 28.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 109.209 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.576 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 18.5 Cg_endo -74.98 -38.59 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.549 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -84.14 -33.19 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.567 ' CG ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -56.62 -16.81 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -99.72 -10.48 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 7.0 mmtt -103.55 -24.99 13.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.658 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.69 -16.44 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.599 1.187 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.2 mt -90.91 -57.42 2.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.4 t -39.51 -24.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.579 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.86 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.23 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.12 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -92.94 -32.16 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.727 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.1 pt-20 92.52 -3.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.727 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 104.34 16.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.3 mm-40 -77.35 -86.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.58 1.175 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' GLU . 77.9 p -36.48 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.478 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' GLU . 29.9 p -62.5 -151.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 110.347 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -81.36 -170.69 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.86 -79.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.641 ' HG2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -31.11 -38.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.641 ' N ' ' HG2' ' A' ' 2' ' ' LYS . 1.4 p -60.85 -90.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.645 ' O ' HG23 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -36.33 -54.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.645 HG23 ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -144.34 -165.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.57 ' HD3' ' HE2' ' A' ' 9' ' ' GLU . 8.6 mtpt -138.18 74.34 42.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.38 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.532 ' HD3' ' CD1' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -74.99 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.591 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -57.62 -35.66 70.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.359 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.57 ' HE2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -57.73 -13.75 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -103.79 -12.22 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -101.51 -24.33 14.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.678 HD11 ' C ' ' A' ' 12' ' ' ILE . 2.2 pp -95.08 -16.8 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.9 mt -91.41 -56.84 2.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.365 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG22 ' CG2' ' A' ' 21' ' ' THR . 2.3 t -39.53 -24.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.568 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.7 -57.5 3.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.0 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.396 1.06 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.67 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.99 -31.21 14.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.809 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.2 pt-20 93.77 -6.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.809 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 121.8 4.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' C ' ' CG2' ' A' ' 21' ' ' THR . 3.0 mt-10 -82.08 -86.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 17' ' ' ASN . 1.0 OUTLIER 62.26 -159.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 110.476 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.8 p -111.64 -151.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.4 p -49.14 168.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.414 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.7 52.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.071 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.51 -10.93 22.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -103.02 -24.55 13.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.598 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.4 pp -93.65 -17.55 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 15' ' ' GLN . 33.1 mt -88.72 -56.81 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -38.12 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -66.02 -52.76 46.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.17 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.615 ' O ' ' HB3' ' A' ' 18' ' ' GLU . 17.1 m120 -89.86 -34.35 16.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 2.2 pt-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -99.34 -10.85 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.6 mmtp -100.94 -25.66 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.582 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.5 pp -92.93 -17.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.422 1.077 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 15' ' ' GLN . 33.8 mt -90.52 -57.11 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.08 -24.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.568 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.34 -57.28 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.651 1.22 . . . . 0.0 110.382 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.86 -8.74 58.47 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.598 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.2 m120 -94.03 -31.56 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.521 ' HG3' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -96.62 -8.96 30.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.3 mmtp -102.25 -26.32 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.583 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.75 -17.57 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 15' ' ' GLN . 34.4 mt -90.79 -57.08 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.2 -24.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.53 -57.34 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.69 -8.93 58.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.088 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.595 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.3 m120 -94.06 -31.54 14.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.318 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -98.41 -17.26 18.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -93.71 -25.18 17.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.547 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.47 -18.7 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 15' ' ' GLN . 42.9 mt -90.82 -56.55 3.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.0 t -38.35 -25.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.25 -57.77 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.48 -8.49 57.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.604 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.9 m120 -96.86 -31.58 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.277 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.604 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 14' ' ' VAL . 24.5 t0 -101.68 -16.83 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -23.84 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.572 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.6 pp -94.04 -18.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' GLN . 37.0 mt -91.3 -56.22 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.43 -25.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.2 -57.57 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -76.76 -8.89 58.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.601 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 5.1 m120 -96.75 -31.91 12.41 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.601 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 13' ' ' LEU . 1.2 pt-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -102.63 -10.73 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 3.1 mmtp -102.73 -25.45 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.618 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.4 pp -93.95 -16.25 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 15' ' ' GLN . 36.2 mt -92.32 -56.87 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -39.46 -24.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.47 -57.07 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.71 -9.07 58.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.567 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.4 m120 -94.06 -31.63 14.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -99.11 -16.83 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -94.42 -24.27 17.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.215 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.559 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -93.08 -19.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 15' ' ' GLN . 35.1 mt -90.67 -56.73 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.73 -25.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.53 -57.04 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.32 -8.72 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.595 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.4 m120 -94.57 -31.88 13.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -99.88 -17.9 17.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -93.34 -24.5 18.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.558 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -92.88 -19.28 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' GLN . 38.2 mt -90.11 -56.89 3.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.64 -25.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.558 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.85 -57.4 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.229 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.67 -8.49 57.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.2 m120 -94.79 -31.73 13.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 2.0 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -9.16 21.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 8.4 mmtt -104.86 -24.43 12.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.634 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.3 pp -94.75 -16.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 15' ' ' GLN . 35.2 mt -91.38 -57.16 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -39.63 -23.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.583 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.58 -56.89 4.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.76 -9.1 58.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.58 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.3 m120 -92.92 -32.46 14.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -95.91 -10.36 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 1.9 mmtp -100.27 -26.61 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.069 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.574 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.48 -17.64 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 15' ' ' GLN . 34.7 mt -92.01 -56.33 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.0 t -38.91 -24.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.233 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -58.0 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.238 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.63 -8.8 58.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.602 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.9 m120 -96.04 -31.36 13.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.554 1.159 . . . . 0.0 109.383 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.602 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -95.83 -17.76 20.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.99 -24.94 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.556 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.7 pp -92.46 -19.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 15' ' ' GLN . 39.4 mt -90.04 -57.04 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.72 -24.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.568 1.167 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.94 -56.95 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.384 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.81 -8.72 58.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.58 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.1 m120 -93.76 -32.47 13.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -9.8 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 4.2 mmtt -102.28 -25.41 13.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.415 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.61 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.4 pp -93.52 -16.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 15' ' ' GLN . 33.8 mt -92.89 -56.26 3.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.383 1.052 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.93 -24.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.82 -57.81 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.197 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.98 -9.2 58.53 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.167 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.598 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 5.1 m120 -96.06 -31.66 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.7 pt-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -96.94 -17.85 19.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -23.39 17.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.563 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.5 pp -92.08 -21.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 15' ' ' GLN . 27.3 mt -87.24 -57.22 3.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.599 1.187 . . . . 0.0 109.372 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.19 -26.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.12 -52.73 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.16 -12.5 61.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.613 ' O ' ' HB3' ' A' ' 18' ' ' GLU . 17.3 m120 -89.81 -34.52 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.225 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.613 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 2.3 pt-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.64 -16.08 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -95.14 -24.37 16.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.563 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -93.32 -18.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 15' ' ' GLN . 40.7 mt -90.75 -56.68 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.72 -25.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.563 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.52 -57.64 3.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -78.0 -8.77 58.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.595 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.9 m120 -96.34 -31.94 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.76 -10.38 21.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -102.74 -25.16 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.62 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.3 pp -93.96 -16.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 15' ' ' GLN . 37.7 mt -92.6 -56.26 3.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.95 -25.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -57.98 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.94 58.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.597 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.9 m120 -96.1 -31.6 12.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.597 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -9.88 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.4 mmtp -103.44 -24.7 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.624 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.3 pp -93.81 -17.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 15' ' ' GLN . 33.8 mt -90.49 -57.26 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -39.05 -24.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.0 -56.93 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.29 -8.93 58.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.587 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.3 m120 -93.56 -31.43 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.587 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 2.0 pt-20 . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.762 ' HG3' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.615 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 23.0 t70 -95.77 0.78 52.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -110.67 -24.8 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -99.98 -15.61 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 9' ' ' GLU . 30.4 mt -95.59 -56.08 2.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.615 ' CG1' ' O ' ' A' ' 10' ' ' ASP . 23.9 m -39.67 -24.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.2 -58.06 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.67 -9.15 58.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.593 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.4 m120 -94.13 -31.06 14.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.593 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.309 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.25 -9.57 23.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.3 mmtp -102.41 -24.7 13.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.597 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.4 pp -93.89 -17.82 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 15' ' ' GLN . 31.3 mt -90.54 -57.09 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.29 -24.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.172 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.577 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.24 -56.95 4.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.185 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.53 -9.08 58.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.3 m120 -93.22 -32.33 14.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.579 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.72 -10.48 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.0 mmtt -103.55 -24.99 13.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.69 -16.44 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.599 1.187 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 15' ' ' GLN . 37.2 mt -90.91 -57.42 2.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -39.51 -24.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.578 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.86 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.23 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.12 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.585 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.2 m120 -92.94 -32.16 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.585 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.1 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.79 -12.22 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -101.51 -24.33 14.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.636 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.2 pp -95.08 -16.8 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 15' ' ' GLN . 35.9 mt -91.41 -56.84 2.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.365 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -39.53 -24.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.7 -57.5 3.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.0 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.396 1.06 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.596 ' O ' ' CB ' ' A' ' 18' ' ' GLU . 4.3 m120 -93.99 -31.21 14.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.2 pt-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -30.05 -41.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.805 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.4 p -45.07 -92.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.805 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -56.82 -21.05 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 109.343 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' LYS . 1.4 mm -82.77 86.65 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.623 ' HB3' ' CG ' ' A' ' 9' ' ' GLU . 6.4 mmtp 66.09 60.92 1.05 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.545 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 18.2 Cg_endo -75.04 -33.33 4.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -89.24 -33.26 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.623 ' CG ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -57.44 -17.44 13.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.51 -10.93 22.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 4.6 mmtt -103.02 -24.55 13.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.598 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.65 -17.55 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.636 ' C ' HD22 ' A' ' 17' ' ' ASN . 33.1 mt -88.72 -56.81 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -38.12 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -66.02 -52.76 46.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.17 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.636 HD22 ' C ' ' A' ' 13' ' ' LEU . 34.7 m-80 -89.86 -34.35 16.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.785 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.2 pt-20 96.53 -14.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 18' ' ' GLU . . . 144.68 -6.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.729 ' C ' HG22 ' A' ' 21' ' ' THR . 8.5 mt-10 -71.52 -89.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.729 HG22 ' C ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 161.8 -43.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 110.355 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.551 HG22 HG23 ' A' ' 23' ' ' THR . 46.8 m -155.51 -58.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.429 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.551 HG23 HG22 ' A' ' 22' ' ' THR . 63.1 p -126.26 -166.36 1.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.97 111.9 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.895 ' HE3' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -59.46 -141.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.895 HG23 ' HE3' ' A' ' 2' ' ' LYS . 2.3 t 86.16 -21.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 5' ' ' ILE . 2.6 m-80 -82.52 -41.91 19.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.752 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -52.38 -172.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.752 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 2.8 mmpt? 116.62 -45.5 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.0 -27.71 9.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -107.64 -26.68 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -77.96 -11.28 59.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 110.229 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -99.34 -10.85 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.556 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.6 mmtp -100.94 -25.66 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.582 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.93 -17.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.422 1.077 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.52 -57.11 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.08 -24.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.568 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.34 -57.28 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.651 1.22 . . . . 0.0 110.382 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.86 -8.74 58.47 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.03 -31.56 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.801 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 93.7 -6.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 120.83 4.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.196 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.692 ' C ' HG23 ' A' ' 21' ' ' THR . 4.1 mt-10 -83.6 -87.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.692 HG23 ' C ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER 63.86 -158.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.361 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.4 p -86.36 -155.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 110.352 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.3 p -49.9 167.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.472 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.92 171.55 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.236 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -35.16 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.734 HG22 ' N ' ' A' ' 4' ' ' ASN . 2.4 p -49.41 -107.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.093 . . . . 0.0 109.291 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.734 ' N ' HG22 ' A' ' 3' ' ' VAL . 0.8 OUTLIER -109.45 -16.98 13.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' O ' ' O ' ' A' ' 1' ' ' ALA . 1.5 mm -80.71 120.18 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.593 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 34.78 55.46 1.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.593 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.01 -28.66 8.96 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.415 1.745 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -114.7 -32.0 5.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.523 ' HG2' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -72.34 -15.15 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 25.3 t0 -96.62 -8.96 30.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.3 mmtp -102.25 -26.32 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.583 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.75 -17.57 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.4 mt -90.79 -57.08 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG23 HG21 ' A' ' 21' ' ' THR . 2.2 t -39.2 -24.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.53 -57.34 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.69 -8.93 58.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.088 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.54 14.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.796 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 93.75 -6.78 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.318 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.796 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.69 4.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.588 ' C ' HG23 ' A' ' 21' ' ' THR . 5.8 mt-10 -81.13 -86.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.588 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.3 p 61.96 -149.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 21' ' ' THR . 51.7 m -94.63 -58.51 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.173 . . . . 0.0 110.429 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.7 p -85.84 -164.84 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.76 -70.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.546 ' O ' ' C ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.829 ' HZ3' HG12 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -27.62 -46.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.829 HG12 ' HZ3' ' A' ' 2' ' ' LYS . 1.1 p -37.34 -80.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.779 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -43.74 -37.09 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.888 ' N ' HD13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -65.15 -137.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.382 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.756 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 1.9 mmpt? 116.15 -45.09 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.62 1.2 . . . . 0.0 109.279 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -75.02 -26.98 10.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -107.51 -23.0 12.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -83.72 -9.06 59.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 77.0 m-20 -98.41 -17.26 18.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -93.71 -25.18 17.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.547 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.47 -18.7 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.655 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 42.9 mt -90.82 -56.55 3.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.681 HG23 HG21 ' A' ' 21' ' ' THR . 2.0 t -38.35 -25.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.25 -57.77 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.48 -8.49 57.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.655 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.86 -31.58 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.277 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.788 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.44 -8.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.348 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.788 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 132.04 -0.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' THR . 5.9 mt-10 -79.9 -90.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.681 HG21 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 42.04 -91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.432 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.654 ' N ' ' OG1' ' A' ' 21' ' ' THR . 1.3 m -141.01 -57.34 0.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 110.363 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -83.75 -170.92 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.3 -66.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.962 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.674 ' HG2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -31.33 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.8 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.4 p -62.18 -90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.8 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -40.7 -29.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.51 HG12 ' C ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -51.69 -34.77 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.637 ' HA ' ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER 79.75 76.01 0.13 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.231 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -74.99 -30.65 6.94 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -115.47 -20.4 10.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.637 ' HG3' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -86.9 -7.26 58.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.344 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 24.5 t0 -101.68 -16.83 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -94.81 -23.84 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.572 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -94.04 -18.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.64 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.0 mt -91.3 -56.22 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.648 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.43 -25.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.2 -57.57 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -76.76 -8.89 58.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.64 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.75 -31.91 12.41 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.32 -9.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 133.91 -1.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' C ' ' CG2' ' A' ' 21' ' ' THR . 6.2 mt-10 -78.92 -90.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.648 HG21 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 39.63 91.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.624 1.203 . . . . 0.0 110.485 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 m -136.7 -45.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.633 1.208 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.4 p -65.17 170.51 4.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.481 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 47.23 41.42 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.758 ' H2 ' HG12 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.563 ' HE3' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER 68.77 -41.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.331 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.759 HG22 ' N ' ' A' ' 4' ' ' ASN . 3.4 p -64.56 -114.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.759 ' N ' HG22 ' A' ' 3' ' ' VAL . 0.7 OUTLIER -93.91 -22.87 18.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.758 HG12 ' H2 ' ' A' ' 1' ' ' ALA . 2.8 mm -50.44 -65.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.381 1.051 . . . . 0.0 109.274 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 31.6 mtpt 63.03 53.45 1.77 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.628 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.0 -39.18 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -111.19 -36.62 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.506 ' CG ' ' HE3' ' A' ' 6' ' ' LYS . 1.2 pt-20 -66.08 -9.74 33.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 50.0 t0 -102.63 -10.73 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 3.1 mmtp -102.73 -25.45 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.618 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.95 -16.25 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 36.2 mt -92.32 -56.87 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.502 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.3 t -39.46 -24.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.47 -57.07 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.71 -9.07 58.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.63 14.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 93.8 -6.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.49 4.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.37 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' C ' HG23 ' A' ' 21' ' ' THR . 2.9 mt-10 -81.33 -86.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.573 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.3 p 61.88 171.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.456 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 23' ' ' THR . 3.5 m -90.26 177.96 6.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.512 ' H ' HG22 ' A' ' 22' ' ' THR . 31.1 p 39.88 -159.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.37 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 41.42 74.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.977 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.708 ' HB1' ' HB ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.746 ' HE3' HG12 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -38.91 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.826 HG13 ' H ' ' A' ' 5' ' ' ILE . 13.8 p -98.67 -124.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.764 ' H ' HG13 ' A' ' 3' ' ' VAL . 3.8 m-80 -104.61 -23.31 13.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.826 ' H ' HG13 ' A' ' 3' ' ' VAL . 1.4 mm -25.01 138.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HA ' ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER 38.4 54.75 4.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.607 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.01 -28.99 8.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -115.3 -21.31 9.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.616 ' HG3' ' HA ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -86.24 -9.57 56.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 36.7 t70 -99.11 -16.83 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -94.42 -24.27 17.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.215 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.559 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -93.08 -19.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.675 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.1 mt -90.67 -56.73 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.518 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.73 -25.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.53 -57.04 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.32 -8.72 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.57 -31.88 13.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.794 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 93.86 -7.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.794 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.93 4.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' C ' HG23 ' A' ' 21' ' ' THR . 4.5 mt-10 -81.25 -86.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.3 p 62.15 -176.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 23' ' ' THR . 10.0 m -107.94 -176.92 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.689 ' H ' HG22 ' A' ' 22' ' ' THR . 9.6 p 38.43 -144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 41.32 -98.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' THR . 53.1 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.863 ' O ' HG12 ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.537 ' HE3' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 60.03 -59.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.355 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 1' ' ' ALA . 1.3 p -57.1 -93.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.771 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -43.36 -26.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 6' ' ' LYS . 2.2 mm -55.99 -29.62 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.632 ' HA ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER 35.33 68.51 1.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.508 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 18.4 Cg_endo -74.91 -31.51 6.31 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.557 1.82 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -111.63 -22.44 11.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.632 ' HG3' ' HA ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -84.98 -8.07 58.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 32.7 t70 -99.88 -17.9 17.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -93.34 -24.5 18.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.558 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -92.88 -19.28 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.676 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 38.2 mt -90.11 -56.89 3.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.64 -25.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.558 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.85 -57.4 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.229 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.67 -8.49 57.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.79 -31.73 13.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.0 pt-20 93.87 -6.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.63 4.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.586 ' C ' HG23 ' A' ' 21' ' ' THR . 5.1 mt-10 -81.28 -86.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.586 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.3 p 62.11 -150.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.479 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 21' ' ' THR . 2.9 m -150.56 168.64 23.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.46 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p 39.14 -152.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 45.12 92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.366 1.041 . . . . 0.0 109.956 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.768 ' HE3' HG12 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -36.92 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.828 HG13 ' H ' ' A' ' 4' ' ' ASN . 10.8 p -98.14 -125.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.828 ' H ' HG13 ' A' ' 3' ' ' VAL . 3.7 m-80 -99.61 -29.59 12.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.786 ' O ' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -140.69 -153.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.774 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 5.0 mtpt 51.58 44.86 2.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.774 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.04 -34.11 4.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.414 1.744 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.578 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -85.36 -29.3 24.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.51 ' OE2' ' CE ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -56.01 -17.96 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.23 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -9.16 21.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 8.4 mmtt -104.86 -24.43 12.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.634 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -94.75 -16.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.688 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.2 mt -91.38 -57.16 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -39.63 -23.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.583 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.58 -56.89 4.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.76 -9.1 58.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.688 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -92.92 -32.46 14.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.9 pt-20 92.51 -3.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . 104.38 16.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.4 mm-40 -77.27 -86.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' GLU . 79.1 p -36.28 150.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 p -128.74 -101.88 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.468 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -135.97 -166.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.455 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.79 -48.82 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.56 1.163 . . . . 0.0 109.963 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.887 ' HE3' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -59.53 -140.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.887 HG23 ' HE3' ' A' ' 2' ' ' LYS . 2.0 t 83.68 -14.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.553 ' O ' ' C ' ' A' ' 5' ' ' ILE . 3.3 m-80 -103.94 -34.73 8.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.879 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -27.2 -61.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 30.78 52.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.65 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.17 -25.12 11.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.799 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -111.77 -28.69 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -76.49 -14.5 60.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.247 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 91.1 m-20 -95.91 -10.36 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 1.9 mmtp -100.27 -26.61 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.069 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.574 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.48 -17.64 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.652 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.7 mt -92.01 -56.33 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 HG21 ' A' ' 21' ' ' THR . 2.0 t -38.91 -24.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.233 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -58.0 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.238 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.63 -8.8 58.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.652 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.04 -31.36 13.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.554 1.159 . . . . 0.0 109.383 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.36 -8.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 131.06 0.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' THR . 10.3 mt-10 -80.36 -89.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 110.206 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.708 HG21 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 41.78 -91.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.654 ' N ' ' OG1' ' A' ' 21' ' ' THR . 41.7 m -139.19 -62.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.455 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.1 p -83.05 -158.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.468 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.87 136.84 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.788 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -78.66 -132.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.788 HG23 ' C ' ' A' ' 2' ' ' LYS . 1.3 t 77.04 -20.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 2' ' ' LYS . 2.6 m-80 -85.32 -39.37 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.59 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.38 174.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 33.52 52.94 1.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.629 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.06 -23.39 13.74 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.442 1.759 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -113.84 -26.39 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -82.52 -11.37 58.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.349 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 23.7 t70 -95.83 -17.76 20.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -92.99 -24.94 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.556 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.7 pp -92.46 -19.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.684 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 39.4 mt -90.04 -57.04 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.72 -24.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.568 1.167 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.94 -56.95 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.384 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.81 -8.72 58.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.684 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -93.76 -32.47 13.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.9 pt-20 92.61 -3.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . 104.35 16.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.8 mm-40 -77.43 -86.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' GLU . 77.3 p -36.05 108.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 m -129.84 -83.01 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.1 p -81.76 170.73 15.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.15 57.09 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.388 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.558 ' C ' ' H ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HE3' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER 66.36 -45.71 0.42 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.579 1.174 . . . . 0.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.739 HG13 ' H ' ' A' ' 4' ' ' ASN . 7.6 p -73.34 -116.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.353 1.033 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.739 ' H ' HG13 ' A' ' 3' ' ' VAL . 2.3 p30 -43.65 -46.99 7.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 5' ' ' ILE . 1.1 mm -84.07 120.65 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.648 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 4.5 mmtp 59.23 52.51 4.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.648 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -74.93 -28.07 9.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.041 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -96.48 -29.15 14.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.574 1.171 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.564 ' CG ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -60.85 -18.97 59.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -9.8 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 4.2 mmtt -102.28 -25.41 13.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.415 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.61 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.52 -16.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -92.89 -56.26 3.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.383 1.052 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.647 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.93 -24.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.82 -57.81 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.197 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.98 -9.2 58.53 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.167 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.06 -31.66 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.787 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.7 pt-20 94.12 -9.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.787 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 132.99 -0.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' C ' ' CG2' ' A' ' 21' ' ' THR . 7.4 mt-10 -79.2 -90.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.647 HG21 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER 39.74 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 p -98.1 -147.72 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.458 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.0 p -47.83 167.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.49 -49.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.59 ' HZ2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -32.31 -34.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.761 HG13 ' H ' ' A' ' 4' ' ' ASN . 2.1 p -54.63 -101.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.761 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.5 OUTLIER -39.62 -53.59 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.647 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -141.92 -146.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.811 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.2 mmpp? 56.78 41.61 0.79 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.811 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -74.99 -33.74 4.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.545 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -91.63 -28.42 17.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.06 -15.42 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -96.94 -17.85 19.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -94.7 -23.39 17.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.563 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.08 -21.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 ' C ' HD22 ' A' ' 17' ' ' ASN . 27.3 mt -87.24 -57.22 3.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.599 1.187 . . . . 0.0 109.372 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.19 -26.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.12 -52.73 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.16 -12.5 61.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.644 HD22 ' C ' ' A' ' 13' ' ' LEU . 35.2 m-80 -89.81 -34.52 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.225 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.778 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.3 pt-20 96.63 -14.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 18' ' ' GLU . . . 144.64 -6.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.226 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.732 ' C ' HG22 ' A' ' 21' ' ' THR . 8.5 mt-10 -71.37 -89.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.732 HG22 ' C ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 161.85 -44.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.452 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -163.21 -59.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.4 p -105.3 -152.45 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.649 1.218 . . . . 0.0 110.335 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.66 162.96 15.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.598 1.186 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.354 1.034 . . . . 0.0 110.009 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.745 ' HA ' HG23 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.673 ' N ' HD12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER 65.67 -46.15 0.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 0.0 109.214 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.777 HG22 ' N ' ' A' ' 4' ' ' ASN . 1.7 p -55.6 -104.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.777 ' N ' HG22 ' A' ' 3' ' ' VAL . 0.7 OUTLIER -108.38 -17.13 14.07 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.541 1.15 . . . . 0.0 109.242 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.821 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 44.22 110.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.798 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -53.81 -33.44 15.01 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.821 ' HD2' ' C ' ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.05 -18.22 18.8 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.543 ' HB2' ' CG1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -111.49 -19.57 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.739 ' N ' ' O ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -86.19 -9.31 56.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.64 -16.08 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -95.14 -24.37 16.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.563 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -93.32 -18.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 40.7 mt -90.75 -56.68 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.641 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.72 -25.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.563 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.52 -57.64 3.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -78.0 -8.77 58.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.34 -31.94 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.801 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.04 -7.57 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 128.54 1.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' THR . 8.3 mt-10 -78.66 -88.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.616 1.198 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.641 HG21 HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER 34.3 -93.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 110.415 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.631 ' N ' ' OG1' ' A' ' 21' ' ' THR . 39.7 m 57.93 -87.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' THR . 81.0 p -43.44 166.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.374 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.19 45.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.346 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.744 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.744 ' O ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 49.11 142.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.354 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.73 HG12 ' C ' ' A' ' 2' ' ' LYS . 1.9 p 153.28 -102.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.359 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.717 ' N ' HG22 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -74.48 -23.43 58.87 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.15 -174.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.681 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.2 mmpt? 38.42 50.04 2.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.89 -33.12 4.98 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -88.8 -30.39 19.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.525 ' CD ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -57.92 -17.37 16.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.76 -10.38 21.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 6.5 mmtt -102.74 -25.16 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -93.96 -16.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.7 mt -92.6 -56.26 3.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.95 -25.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -57.98 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.94 58.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.643 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.1 -31.6 12.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.781 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.05 -8.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.781 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 131.31 -0.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' C ' ' CG2' ' A' ' 21' ' ' THR . 10.0 mt-10 -79.82 -89.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.676 HG21 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 40.68 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.497 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.6 m -108.78 -88.0 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.3 p -66.63 167.17 11.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.3 171.33 8.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.92 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.774 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -78.37 -132.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.774 HG23 ' C ' ' A' ' 2' ' ' LYS . 1.4 t 76.99 -20.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 2' ' ' LYS . 2.5 m-80 -85.37 -39.31 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.576 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -139.62 -177.86 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.383 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 9.1 mmtp 35.07 52.31 1.43 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.158 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.65 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.92 -29.99 7.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.566 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -93.87 -29.45 15.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.533 ' CG ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -58.95 -18.97 38.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -9.88 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.4 mmtp -103.44 -24.7 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -93.81 -17.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.696 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.49 -57.26 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -39.05 -24.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.0 -56.93 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.29 -8.93 58.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.696 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.56 -31.43 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.809 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.0 pt-20 93.39 -6.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.809 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 118.98 4.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.728 ' C ' HG23 ' A' ' 21' ' ' THR . 4.0 mt-10 -85.54 -87.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.728 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.2 p 69.0 -54.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' OG1' ' A' ' 21' ' ' THR . 46.3 p -147.01 -140.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.339 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -65.6 172.66 3.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.558 1.161 . . . . 0.0 110.444 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.14 118.31 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.704 ' HB1' HG12 ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -34.33 -36.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.728 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.4 p -46.45 -96.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.748 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -95.24 -8.47 35.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.233 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.873 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER 46.07 73.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.672 ' C ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER 14.89 69.78 0.15 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.555 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -74.97 -19.47 17.89 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -115.03 -31.34 6.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.762 ' HG3' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -72.86 -18.41 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.615 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 23.0 t70 -95.77 0.78 52.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -110.67 -24.8 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -99.98 -15.61 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 9' ' ' GLU . 30.4 mt -95.59 -56.08 2.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.779 HG12 HG21 ' A' ' 21' ' ' THR . 23.9 m -39.67 -24.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.2 -58.06 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.67 -9.15 58.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.13 -31.06 14.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.808 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.09 -7.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.808 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 125.74 2.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' C ' HG23 ' A' ' 21' ' ' THR . 7.4 mt-10 -78.44 -86.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.779 HG21 HG12 ' A' ' 14' ' ' VAL . 1.4 p 60.38 28.65 18.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 p -59.79 140.41 56.57 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.458 1.098 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.0 p 46.36 -153.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.18 177.77 11.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 109.335 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.538 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.657 ' HD2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -56.8 -142.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.657 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER 84.68 -43.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.623 ' O ' ' O ' ' A' ' 5' ' ' ILE . 1.3 m120 -111.51 -20.92 12.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.892 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER 39.72 103.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.828 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.54 -30.85 8.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.83 ' HD2' ' C ' ' A' ' 5' ' ' ILE . 18.4 Cg_endo -74.91 -22.79 14.65 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.535 1.808 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.562 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -104.0 -25.36 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -69.01 -16.03 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 110.323 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.25 -9.57 23.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.3 mmtp -102.41 -24.7 13.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.597 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.89 -17.82 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.686 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 31.3 mt -90.54 -57.09 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.29 -24.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.172 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.577 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.24 -56.95 4.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.185 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.53 -9.08 58.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.686 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.22 -32.33 14.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.9 pt-20 92.56 -3.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . 104.29 16.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 22' ' ' THR . 1.7 mm-40 -77.4 -86.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLU . 78.7 p -36.1 127.86 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.382 1.051 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' GLU . 10.1 p -113.02 165.4 12.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.4 p 46.38 -160.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.595 1.185 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.24 -55.02 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -30.65 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.812 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.5 p -57.42 -94.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.812 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -37.29 -54.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.649 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -144.13 -161.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.566 ' HB2' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -140.67 73.44 28.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 109.209 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.575 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 18.5 Cg_endo -74.98 -38.59 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.549 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -84.14 -33.19 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.566 ' CG ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -56.62 -16.81 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.72 -10.48 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 7.0 mmtt -103.55 -24.99 13.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.69 -16.44 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.599 1.187 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.2 mt -90.91 -57.42 2.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -39.51 -24.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.578 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.86 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.23 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.12 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -92.94 -32.16 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.1 pt-20 92.52 -3.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . 104.34 16.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.3 mm-40 -77.35 -86.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.58 1.175 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' GLU . 77.9 p -36.48 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.478 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' GLU . 29.9 p -62.5 -151.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 110.347 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -81.36 -170.69 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.86 -79.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.639 ' HG2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -31.11 -38.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.784 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.4 p -60.85 -90.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.784 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -36.33 -54.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -144.34 -165.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.5 ' CB ' ' CD ' ' A' ' 9' ' ' GLU . 8.6 mtpt -138.18 74.34 42.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.38 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD3' ' CD1' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -74.99 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -57.62 -35.66 70.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.359 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.5 ' CD ' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -57.73 -13.75 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.79 -12.22 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -101.51 -24.33 14.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.2 pp -95.08 -16.8 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.9 mt -91.41 -56.84 2.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.365 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 HG21 ' A' ' 21' ' ' THR . 2.3 t -39.53 -24.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.7 -57.5 3.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.0 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.396 1.06 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.67 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.99 -31.21 14.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.809 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.2 pt-20 93.77 -6.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.809 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 121.8 4.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' C ' HG23 ' A' ' 21' ' ' THR . 3.0 mt-10 -82.08 -86.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.634 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER 62.26 -159.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 110.476 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.8 p -111.64 -151.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.4 p -49.14 168.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.414 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.7 52.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.071 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.51 -10.93 22.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -103.02 -24.55 13.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.598 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.4 pp -93.65 -17.55 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.636 ' C ' HD22 ' A' ' 17' ' ' ASN . 33.1 mt -88.72 -56.81 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -38.12 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -66.02 -52.76 46.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.17 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.636 HD22 ' C ' ' A' ' 13' ' ' LEU . 34.7 m-80 -89.86 -34.35 16.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.615 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 2.2 pt-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -99.34 -10.85 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.6 mmtp -100.94 -25.66 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.582 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.93 -17.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.422 1.077 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.52 -57.11 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.08 -24.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.568 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.34 -57.28 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.651 1.22 . . . . 0.0 110.382 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.86 -8.74 58.47 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.03 -31.56 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.521 ' HG3' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -96.62 -8.96 30.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.3 mmtp -102.25 -26.32 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.583 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.75 -17.57 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.4 mt -90.79 -57.08 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.2 -24.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.53 -57.34 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.69 -8.93 58.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.088 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.54 14.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.318 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -98.41 -17.26 18.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -93.71 -25.18 17.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.547 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.47 -18.7 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.655 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 42.9 mt -90.82 -56.55 3.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.0 t -38.35 -25.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.25 -57.77 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.48 -8.49 57.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.655 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.86 -31.58 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.277 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.604 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 14' ' ' VAL . 24.5 t0 -101.68 -16.83 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -23.84 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.572 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -94.04 -18.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.64 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.0 mt -91.3 -56.22 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.43 -25.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.2 -57.57 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -76.76 -8.89 58.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.64 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.75 -31.91 12.41 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.601 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 13' ' ' LEU . 1.2 pt-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -102.63 -10.73 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 3.1 mmtp -102.73 -25.45 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.618 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.95 -16.25 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 36.2 mt -92.32 -56.87 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -39.46 -24.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.47 -57.07 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.71 -9.07 58.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.63 14.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -99.11 -16.83 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -94.42 -24.27 17.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.215 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.559 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -93.08 -19.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.675 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.1 mt -90.67 -56.73 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.73 -25.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.53 -57.04 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.32 -8.72 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.57 -31.88 13.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -99.88 -17.9 17.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -93.34 -24.5 18.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.558 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -92.88 -19.28 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.676 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 38.2 mt -90.11 -56.89 3.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.64 -25.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.558 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.85 -57.4 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.229 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.67 -8.49 57.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.79 -31.73 13.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 2.0 pt-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -9.16 21.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 8.4 mmtt -104.86 -24.43 12.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.634 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -94.75 -16.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.688 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.2 mt -91.38 -57.16 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -39.63 -23.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.583 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.58 -56.89 4.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.76 -9.1 58.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.688 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -92.92 -32.46 14.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -95.91 -10.36 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 1.9 mmtp -100.27 -26.61 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.069 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.574 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.48 -17.64 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.652 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.7 mt -92.01 -56.33 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.0 t -38.91 -24.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.233 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -58.0 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.238 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.63 -8.8 58.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.652 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.04 -31.36 13.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.554 1.159 . . . . 0.0 109.383 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.602 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -95.83 -17.76 20.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.99 -24.94 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.556 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.7 pp -92.46 -19.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.684 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 39.4 mt -90.04 -57.04 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.72 -24.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.568 1.167 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.94 -56.95 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.384 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.81 -8.72 58.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.684 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -93.76 -32.47 13.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.58 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -9.8 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 4.2 mmtt -102.28 -25.41 13.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.415 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.61 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.52 -16.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -92.89 -56.26 3.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.383 1.052 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.93 -24.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.82 -57.81 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.197 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.98 -9.2 58.53 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.167 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.06 -31.66 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.7 pt-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -96.94 -17.85 19.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -23.39 17.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.563 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.5 pp -92.08 -21.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.644 ' C ' HD22 ' A' ' 17' ' ' ASN . 27.3 mt -87.24 -57.22 3.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.599 1.187 . . . . 0.0 109.372 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.19 -26.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.12 -52.73 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.16 -12.5 61.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.644 HD22 ' C ' ' A' ' 13' ' ' LEU . 35.2 m-80 -89.81 -34.52 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.225 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.613 ' HB3' ' O ' ' A' ' 17' ' ' ASN . 2.3 pt-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.64 -16.08 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -95.14 -24.37 16.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.563 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -93.32 -18.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 40.7 mt -90.75 -56.68 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.72 -25.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.563 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.52 -57.64 3.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -78.0 -8.77 58.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.34 -31.94 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.76 -10.38 21.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -102.74 -25.16 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.62 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.3 pp -93.96 -16.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.643 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.7 mt -92.6 -56.26 3.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.95 -25.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -57.98 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.94 58.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.643 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.1 -31.6 12.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.597 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -9.88 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.4 mmtp -103.44 -24.7 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -93.81 -17.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.696 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.49 -57.26 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -39.05 -24.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.0 -56.93 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.29 -8.93 58.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.696 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.56 -31.43 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.587 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 2.0 pt-20 . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.762 ' HG3' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.615 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 23.0 t70 -95.77 0.78 52.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -110.67 -24.8 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -99.98 -15.61 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 9' ' ' GLU . 30.4 mt -95.59 -56.08 2.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.615 ' CG1' ' O ' ' A' ' 10' ' ' ASP . 23.9 m -39.67 -24.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.2 -58.06 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.67 -9.15 58.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.13 -31.06 14.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.593 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.309 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.25 -9.57 23.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 2.3 mmtp -102.41 -24.7 13.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.597 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.4 pp -93.89 -17.82 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.686 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 31.3 mt -90.54 -57.09 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.29 -24.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.172 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.577 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.24 -56.95 4.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.185 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.53 -9.08 58.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.686 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.22 -32.33 14.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.579 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.9 pt-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.72 -10.48 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 7.0 mmtt -103.55 -24.99 13.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.69 -16.44 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.599 1.187 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.2 mt -90.91 -57.42 2.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -39.51 -24.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.578 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.86 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.23 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.12 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -92.94 -32.16 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.585 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.1 pt-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.79 -12.22 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -101.51 -24.33 14.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.2 pp -95.08 -16.8 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.9 mt -91.41 -56.84 2.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.365 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -39.53 -24.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.7 -57.5 3.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.0 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.396 1.06 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.67 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.99 -31.21 14.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.596 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 1.2 pt-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -30.05 -41.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.805 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.4 p -45.07 -92.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.805 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -56.82 -21.05 26.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 109.343 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' LYS . 1.4 mm -82.77 86.65 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.623 ' HB3' ' CG ' ' A' ' 9' ' ' GLU . 6.4 mmtp 66.09 60.92 1.05 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.545 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 18.2 Cg_endo -75.04 -33.33 4.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -89.24 -33.26 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.623 ' CG ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -57.44 -17.44 13.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.51 -10.93 22.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 4.6 mmtt -103.02 -24.55 13.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.598 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.65 -17.55 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.636 ' C ' HD22 ' A' ' 17' ' ' ASN . 33.1 mt -88.72 -56.81 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -38.12 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -66.02 -52.76 46.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.17 -12.57 61.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.636 HD22 ' C ' ' A' ' 13' ' ' LEU . 34.7 m-80 -89.86 -34.35 16.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.785 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.2 pt-20 96.53 -14.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 18' ' ' GLU . . . 144.68 -6.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.729 ' C ' HG22 ' A' ' 21' ' ' THR . 8.5 mt-10 -71.52 -89.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.729 HG22 ' C ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 161.8 -43.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 110.355 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.551 HG22 HG23 ' A' ' 23' ' ' THR . 46.8 m -155.51 -58.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.168 . . . . 0.0 110.429 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.551 HG23 HG22 ' A' ' 22' ' ' THR . 63.1 p -126.26 -166.36 1.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.97 111.9 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.895 ' HE3' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -59.46 -141.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.895 HG23 ' HE3' ' A' ' 2' ' ' LYS . 2.3 t 86.16 -21.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 5' ' ' ILE . 2.6 m-80 -82.52 -41.91 19.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.752 ' O ' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -52.38 -172.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.752 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 2.8 mmpt? 116.62 -45.5 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.0 -27.71 9.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -107.64 -26.68 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -77.96 -11.28 59.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 110.229 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -99.34 -10.85 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.556 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.6 mmtp -100.94 -25.66 14.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.582 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.93 -17.97 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.422 1.077 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.52 -57.11 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.08 -24.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.568 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.34 -57.28 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.651 1.22 . . . . 0.0 110.382 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.86 -8.74 58.47 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.03 -31.56 14.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.801 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 93.7 -6.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 120.83 4.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.196 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.692 ' C ' HG23 ' A' ' 21' ' ' THR . 4.1 mt-10 -83.6 -87.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.692 HG23 ' C ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER 63.86 -158.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.361 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.4 p -86.36 -155.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 110.352 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.3 p -49.9 167.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.472 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.92 171.55 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.236 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.988 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.712 ' CB ' HG12 ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -35.16 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.734 HG22 ' N ' ' A' ' 4' ' ' ASN . 2.4 p -49.41 -107.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.093 . . . . 0.0 109.291 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.734 ' N ' HG22 ' A' ' 3' ' ' VAL . 0.8 OUTLIER -109.45 -16.98 13.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 0.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' O ' ' O ' ' A' ' 1' ' ' ALA . 1.5 mm -80.71 120.18 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.593 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 34.78 55.46 1.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.593 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.01 -28.66 8.96 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.415 1.745 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -114.7 -32.0 5.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.523 ' HG2' ' CG ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -72.34 -15.15 61.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 25.3 t0 -96.62 -8.96 30.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.3 mmtp -102.25 -26.32 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.583 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.75 -17.57 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.4 mt -90.79 -57.08 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG23 HG21 ' A' ' 21' ' ' THR . 2.2 t -39.2 -24.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.53 -57.34 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.69 -8.93 58.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.088 . . . . 0.0 109.338 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.54 14.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.796 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 93.75 -6.78 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.318 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.796 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.69 4.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.588 ' C ' HG23 ' A' ' 21' ' ' THR . 5.8 mt-10 -81.13 -86.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.588 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.3 p 61.96 -149.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 21' ' ' THR . 51.7 m -94.63 -58.51 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.173 . . . . 0.0 110.429 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.7 p -85.84 -164.84 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.76 -70.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.546 ' O ' ' C ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.829 ' HZ3' HG12 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -27.62 -46.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.829 HG12 ' HZ3' ' A' ' 2' ' ' LYS . 1.1 p -37.34 -80.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.779 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -43.74 -37.09 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.888 ' N ' HD13 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -65.15 -137.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.382 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.756 ' CB ' ' O ' ' A' ' 5' ' ' ILE . 1.9 mmpt? 116.15 -45.09 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.62 1.2 . . . . 0.0 109.279 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 6' ' ' LYS . 18.4 Cg_endo -75.02 -26.98 10.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -107.51 -23.0 12.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -83.72 -9.06 59.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 77.0 m-20 -98.41 -17.26 18.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -93.71 -25.18 17.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.547 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.47 -18.7 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.655 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 42.9 mt -90.82 -56.55 3.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.681 HG23 HG21 ' A' ' 21' ' ' THR . 2.0 t -38.35 -25.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.25 -57.77 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.271 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.48 -8.49 57.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.655 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.86 -31.58 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 0.0 109.277 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.788 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.44 -8.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.348 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.788 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 132.04 -0.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' THR . 5.9 mt-10 -79.9 -90.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.681 HG21 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 42.04 -91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.432 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.654 ' N ' ' OG1' ' A' ' 21' ' ' THR . 1.3 m -141.01 -57.34 0.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 110.363 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.6 p -83.75 -170.92 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.3 -66.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.962 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.674 ' HG2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -31.33 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.8 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.4 p -62.18 -90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.8 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -40.7 -29.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.51 HG12 ' C ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -51.69 -34.77 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.637 ' HA ' ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER 79.75 76.01 0.13 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.231 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -74.99 -30.65 6.94 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.779 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -115.47 -20.4 10.25 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.637 ' HG3' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -86.9 -7.26 58.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.344 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 24.5 t0 -101.68 -16.83 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -94.81 -23.84 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.572 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -94.04 -18.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.64 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.0 mt -91.3 -56.22 3.22 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.648 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.43 -25.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.2 -57.57 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -76.76 -8.89 58.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.64 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.75 -31.91 12.41 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.32 -9.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.158 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 133.91 -1.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' C ' ' CG2' ' A' ' 21' ' ' THR . 6.2 mt-10 -78.92 -90.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.648 HG21 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 39.63 91.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.624 1.203 . . . . 0.0 110.485 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 m -136.7 -45.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.633 1.208 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.4 p -65.17 170.51 4.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.481 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 47.23 41.42 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.758 ' H2 ' HG12 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.563 ' HE3' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER 68.77 -41.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.331 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.759 HG22 ' N ' ' A' ' 4' ' ' ASN . 3.4 p -64.56 -114.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.759 ' N ' HG22 ' A' ' 3' ' ' VAL . 0.7 OUTLIER -93.91 -22.87 18.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.758 HG12 ' H2 ' ' A' ' 1' ' ' ALA . 2.8 mm -50.44 -65.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.381 1.051 . . . . 0.0 109.274 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 31.6 mtpt 63.03 53.45 1.77 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.628 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.0 -39.18 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -111.19 -36.62 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.506 ' CG ' ' HE3' ' A' ' 6' ' ' LYS . 1.2 pt-20 -66.08 -9.74 33.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 50.0 t0 -102.63 -10.73 19.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 3.1 mmtp -102.73 -25.45 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.618 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.95 -16.25 7.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 36.2 mt -92.32 -56.87 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.502 ' CG2' HG21 ' A' ' 21' ' ' THR . 2.3 t -39.46 -24.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.47 -57.07 4.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 110.367 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.71 -9.07 58.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.06 -31.63 14.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 93.8 -6.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.49 4.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.37 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' C ' HG23 ' A' ' 21' ' ' THR . 2.9 mt-10 -81.33 -86.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.402 1.064 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.573 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.3 p 61.88 171.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.456 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 23' ' ' THR . 3.5 m -90.26 177.96 6.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.512 ' H ' HG22 ' A' ' 22' ' ' THR . 31.1 p 39.88 -159.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.37 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 41.42 74.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.977 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.708 ' HB1' ' HB ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.746 ' HE3' HG12 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -38.91 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.826 HG13 ' H ' ' A' ' 5' ' ' ILE . 13.8 p -98.67 -124.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.764 ' H ' HG13 ' A' ' 3' ' ' VAL . 3.8 m-80 -104.61 -23.31 13.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.826 ' H ' HG13 ' A' ' 3' ' ' VAL . 1.4 mm -25.01 138.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.616 ' HA ' ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER 38.4 54.75 4.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.607 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -75.01 -28.99 8.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -115.3 -21.31 9.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.616 ' HG3' ' HA ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -86.24 -9.57 56.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 36.7 t70 -99.11 -16.83 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -94.42 -24.27 17.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.215 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.559 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -93.08 -19.06 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.675 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.1 mt -90.67 -56.73 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.518 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.73 -25.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.53 -57.04 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.32 -8.72 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.675 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.57 -31.88 13.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.154 . . . . 0.0 109.228 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.794 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 93.86 -7.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.794 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.93 4.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' C ' HG23 ' A' ' 21' ' ' THR . 4.5 mt-10 -81.25 -86.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.3 p 62.15 -176.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 23' ' ' THR . 10.0 m -107.94 -176.92 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.689 ' H ' HG22 ' A' ' 22' ' ' THR . 9.6 p 38.43 -144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 41.32 -98.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 23' ' ' THR . 53.1 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.863 ' O ' HG12 ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.537 ' HE3' ' O ' ' A' ' 1' ' ' ALA . 0.2 OUTLIER 60.03 -59.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.355 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 1' ' ' ALA . 1.3 p -57.1 -93.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.771 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -43.36 -26.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 6' ' ' LYS . 2.2 mm -55.99 -29.62 26.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.632 ' HA ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER 35.33 68.51 1.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.508 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 18.4 Cg_endo -74.91 -31.51 6.31 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.557 1.82 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -111.63 -22.44 11.21 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.632 ' HG3' ' HA ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -84.98 -8.07 58.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 32.7 t70 -99.88 -17.9 17.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -93.34 -24.5 18.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.558 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -92.88 -19.28 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.676 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 38.2 mt -90.11 -56.89 3.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.64 -25.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.558 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.85 -57.4 3.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.229 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.67 -8.49 57.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.676 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -94.79 -31.73 13.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.0 pt-20 93.87 -6.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 122.63 4.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.586 ' C ' HG23 ' A' ' 21' ' ' THR . 5.1 mt-10 -81.28 -86.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.586 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.3 p 62.11 -150.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.479 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 21' ' ' THR . 2.9 m -150.56 168.64 23.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.46 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.2 p 39.14 -152.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 45.12 92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.366 1.041 . . . . 0.0 109.956 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.768 ' HE3' HG12 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -36.92 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.828 HG13 ' H ' ' A' ' 4' ' ' ASN . 10.8 p -98.14 -125.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.828 ' H ' HG13 ' A' ' 3' ' ' VAL . 3.7 m-80 -99.61 -29.59 12.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.786 ' O ' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -140.69 -153.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.774 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 5.0 mtpt 51.58 44.86 2.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.774 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.04 -34.11 4.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.414 1.744 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.578 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -85.36 -29.3 24.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.51 ' OE2' ' CE ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -56.01 -17.96 8.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.23 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -9.16 21.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 8.4 mmtt -104.86 -24.43 12.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.634 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -94.75 -16.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.688 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.2 mt -91.38 -57.16 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -39.63 -23.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.583 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.58 -56.89 4.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.76 -9.1 58.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.688 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -92.92 -32.46 14.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.9 pt-20 92.51 -3.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . 104.38 16.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.4 mm-40 -77.27 -86.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 20' ' ' GLU . 79.1 p -36.28 150.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 p -128.74 -101.88 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.468 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -135.97 -166.8 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.455 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -132.79 -48.82 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.56 1.163 . . . . 0.0 109.963 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.887 ' HE3' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -59.53 -140.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.887 HG23 ' HE3' ' A' ' 2' ' ' LYS . 2.0 t 83.68 -14.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.553 ' O ' ' C ' ' A' ' 5' ' ' ILE . 3.3 m-80 -103.94 -34.73 8.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.879 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -27.2 -61.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 30.78 52.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.65 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.0 Cg_endo -75.17 -25.12 11.9 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.519 1.799 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -111.77 -28.69 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.267 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -76.49 -14.5 60.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.247 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 91.1 m-20 -95.91 -10.36 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.4 1.063 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 1.9 mmtp -100.27 -26.61 13.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.069 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.574 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.6 pp -92.48 -17.64 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.652 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 34.7 mt -92.01 -56.33 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 HG21 ' A' ' 21' ' ' THR . 2.0 t -38.91 -24.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 109.233 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -58.0 3.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 110.238 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.63 -8.8 58.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.652 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.04 -31.36 13.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.554 1.159 . . . . 0.0 109.383 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.36 -8.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.775 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 131.06 0.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' THR . 10.3 mt-10 -80.36 -89.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 110.206 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.708 HG21 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 41.78 -91.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.654 ' N ' ' OG1' ' A' ' 21' ' ' THR . 41.7 m -139.19 -62.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.455 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.1 p -83.05 -158.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.468 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -155.87 136.84 13.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.788 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -78.66 -132.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.788 HG23 ' C ' ' A' ' 2' ' ' LYS . 1.3 t 77.04 -20.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 2' ' ' LYS . 2.6 m-80 -85.32 -39.37 17.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.59 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.38 174.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 33.52 52.94 1.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.629 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.2 Cg_endo -75.06 -23.39 13.74 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.442 1.759 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -113.84 -26.39 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -82.52 -11.37 58.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.349 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 6' ' ' LYS . 23.7 t70 -95.83 -17.76 20.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -92.99 -24.94 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.556 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.7 pp -92.46 -19.21 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.684 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 39.4 mt -90.04 -57.04 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.72 -24.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.568 1.167 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.94 -56.95 4.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 110.384 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.81 -8.72 58.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.684 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -93.76 -32.47 13.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.765 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.9 pt-20 92.61 -3.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.765 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . 104.35 16.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.8 mm-40 -77.43 -86.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' GLU . 77.3 p -36.05 108.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 m -129.84 -83.01 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.1 p -81.76 170.73 15.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.15 57.09 2.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.388 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.558 ' C ' ' H ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HE3' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER 66.36 -45.71 0.42 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.579 1.174 . . . . 0.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.739 HG13 ' H ' ' A' ' 4' ' ' ASN . 7.6 p -73.34 -116.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.353 1.033 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.739 ' H ' HG13 ' A' ' 3' ' ' VAL . 2.3 p30 -43.65 -46.99 7.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 5' ' ' ILE . 1.1 mm -84.07 120.65 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.648 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 4.5 mmtp 59.23 52.51 4.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.648 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.5 Cg_endo -74.93 -28.07 9.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.041 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -96.48 -29.15 14.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.574 1.171 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.564 ' CG ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -60.85 -18.97 59.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.53 -9.8 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 4.2 mmtt -102.28 -25.41 13.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.415 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.61 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.52 -16.97 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.604 1.19 . . . . 0.0 109.313 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -92.89 -56.26 3.06 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.383 1.052 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.647 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.93 -24.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.82 -57.81 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.197 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.98 -9.2 58.53 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.167 . . . . 0.0 109.252 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.9 m-80 -96.06 -31.66 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.787 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.7 pt-20 94.12 -9.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.787 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 132.99 -0.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' C ' ' CG2' ' A' ' 21' ' ' THR . 7.4 mt-10 -79.2 -90.23 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.647 HG21 HG23 ' A' ' 14' ' ' VAL . 0.5 OUTLIER 39.74 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 p -98.1 -147.72 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.458 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.0 p -47.83 167.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.49 -49.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.046 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.59 ' HZ2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -32.31 -34.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.761 HG13 ' H ' ' A' ' 4' ' ' ASN . 2.1 p -54.63 -101.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.761 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.5 OUTLIER -39.62 -53.59 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.647 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -141.92 -146.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.811 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.2 mmpp? 56.78 41.61 0.79 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.811 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.1 Cg_endo -74.99 -33.74 4.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.545 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -91.63 -28.42 17.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -67.06 -15.42 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -96.94 -17.85 19.84 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -94.7 -23.39 17.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.563 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.5 pp -92.08 -21.09 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 ' C ' HD22 ' A' ' 17' ' ' ASN . 27.3 mt -87.24 -57.22 3.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.599 1.187 . . . . 0.0 109.372 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.1 t -38.19 -26.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.549 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -66.12 -52.73 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -70.16 -12.5 61.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.612 1.195 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.644 HD22 ' C ' ' A' ' 13' ' ' LEU . 35.2 m-80 -89.81 -34.52 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.225 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.778 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 2.3 pt-20 96.63 -14.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 18' ' ' GLU . . . 144.64 -6.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.226 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.732 ' C ' HG22 ' A' ' 21' ' ' THR . 8.5 mt-10 -71.37 -89.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.732 HG22 ' C ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 161.85 -44.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.452 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -163.21 -59.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.359 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.4 p -105.3 -152.45 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.649 1.218 . . . . 0.0 110.335 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.66 162.96 15.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.598 1.186 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.354 1.034 . . . . 0.0 110.009 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.745 ' HA ' HG23 ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.673 ' N ' HD12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER 65.67 -46.15 0.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 0.0 109.214 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.777 HG22 ' N ' ' A' ' 4' ' ' ASN . 1.7 p -55.6 -104.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.777 ' N ' HG22 ' A' ' 3' ' ' VAL . 0.7 OUTLIER -108.38 -17.13 14.07 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.541 1.15 . . . . 0.0 109.242 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.821 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER 44.22 110.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.798 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -53.81 -33.44 15.01 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.821 ' HD2' ' C ' ' A' ' 5' ' ' ILE . 18.1 Cg_endo -75.05 -18.22 18.8 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.543 ' HB2' ' CG1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -111.49 -19.57 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.739 ' N ' ' O ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -86.19 -9.31 56.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.64 -16.08 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -95.14 -24.37 16.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.563 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 2.6 pp -93.32 -18.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.662 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 40.7 mt -90.75 -56.68 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.641 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.72 -25.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.369 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.563 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -75.52 -57.64 3.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -78.0 -8.77 58.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.662 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.34 -31.94 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.801 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.04 -7.57 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.801 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 128.54 1.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' THR . 8.3 mt-10 -78.66 -88.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.616 1.198 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.641 HG21 HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER 34.3 -93.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 110.415 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.631 ' N ' ' OG1' ' A' ' 21' ' ' THR . 39.7 m 57.93 -87.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' THR . 81.0 p -43.44 166.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.374 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.19 45.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.346 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.744 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.744 ' O ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 49.11 142.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.354 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.73 HG12 ' C ' ' A' ' 2' ' ' LYS . 1.9 p 153.28 -102.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.359 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.717 ' N ' HG22 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -74.48 -23.43 58.87 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 109.283 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -138.15 -174.61 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.262 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.681 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.2 mmpt? 38.42 50.04 2.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.89 -33.12 4.98 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.507 1.793 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -88.8 -30.39 19.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.525 ' CD ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -57.92 -17.37 16.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.76 -10.38 21.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 6.5 mmtt -102.74 -25.16 13.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -93.96 -16.37 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.7 mt -92.6 -56.26 3.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 HG21 ' A' ' 21' ' ' THR . 2.1 t -38.95 -25.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -75.85 -57.98 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.46 -8.94 58.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.643 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.8 m-80 -96.1 -31.6 12.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.207 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.781 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.05 -8.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.351 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.781 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 131.31 -0.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' C ' ' CG2' ' A' ' 21' ' ' THR . 10.0 mt-10 -79.82 -89.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.676 HG21 HG23 ' A' ' 14' ' ' VAL . 0.4 OUTLIER 40.68 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.497 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.6 m -108.78 -88.0 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.3 p -66.63 167.17 11.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.3 171.33 8.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.92 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.774 ' C ' HG23 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -78.37 -132.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.774 HG23 ' C ' ' A' ' 2' ' ' LYS . 1.4 t 76.99 -20.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 2' ' ' LYS . 2.5 m-80 -85.37 -39.31 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.576 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -139.62 -177.86 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.383 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 9.1 mmtp 35.07 52.31 1.43 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.158 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.65 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 18.3 Cg_endo -74.92 -29.99 7.79 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.566 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -93.87 -29.45 15.3 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.533 ' CG ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -58.95 -18.97 38.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -9.88 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.4 mmtp -103.44 -24.7 13.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.377 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.3 pp -93.81 -17.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.696 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 33.8 mt -90.49 -57.26 2.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.103 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.3 t -39.05 -24.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.572 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.0 -56.93 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.29 -8.93 58.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.696 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.56 -31.43 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.809 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.0 pt-20 93.39 -6.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.809 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 118.98 4.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.728 ' C ' HG23 ' A' ' 21' ' ' THR . 4.0 mt-10 -85.54 -87.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.728 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.2 p 69.0 -54.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' OG1' ' A' ' 21' ' ' THR . 46.3 p -147.01 -140.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.339 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -65.6 172.66 3.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.558 1.161 . . . . 0.0 110.444 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.14 118.31 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.022 -179.916 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.704 ' HB1' HG12 ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -34.33 -36.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.728 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.4 p -46.45 -96.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.748 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -95.24 -8.47 35.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.233 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.873 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER 46.07 73.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.672 ' C ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER 14.89 69.78 0.15 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.555 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -74.97 -19.47 17.89 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -115.03 -31.34 6.09 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.762 ' HG3' HD12 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -72.86 -18.41 61.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.615 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 23.0 t70 -95.77 0.78 52.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -110.67 -24.8 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -99.98 -15.61 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 9' ' ' GLU . 30.4 mt -95.59 -56.08 2.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.779 HG12 HG21 ' A' ' 21' ' ' THR . 23.9 m -39.67 -24.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -76.2 -58.06 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.67 -9.15 58.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.66 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -94.13 -31.06 14.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.808 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.9 pt-20 94.09 -7.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.808 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 125.74 2.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.358 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' C ' HG23 ' A' ' 21' ' ' THR . 7.4 mt-10 -78.44 -86.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.779 HG21 HG12 ' A' ' 14' ' ' VAL . 1.4 p 60.38 28.65 18.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 56.6 p -59.79 140.41 56.57 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.458 1.098 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.0 p 46.36 -153.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.18 177.77 11.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 109.335 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.538 ' O ' ' O ' ' A' ' 2' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.657 ' HD2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -56.8 -142.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.657 ' N ' ' HD2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER 84.68 -43.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.623 ' O ' ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -111.51 -20.92 12.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.892 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER 39.72 103.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.828 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -59.54 -30.85 8.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.83 ' HD2' ' C ' ' A' ' 5' ' ' ILE . 18.4 Cg_endo -74.91 -22.79 14.65 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.535 1.808 . . . . 0.0 111.01 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.562 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -104.0 -25.36 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -69.01 -16.03 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 110.323 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.25 -9.57 23.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' CG ' ' O ' ' A' ' 7' ' ' PRO . 2.3 mmtp -102.41 -24.7 13.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.597 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.89 -17.82 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.686 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 31.3 mt -90.54 -57.09 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 13' ' ' LEU . 2.2 t -39.29 -24.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.172 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.577 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.24 -56.95 4.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.185 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -77.53 -9.08 58.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.686 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.22 -32.33 14.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.77 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.9 pt-20 92.56 -3.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . 104.29 16.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 22' ' ' THR . 1.7 mm-40 -77.4 -86.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLU . 78.7 p -36.1 127.86 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.382 1.051 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' GLU . 10.1 p -113.02 165.4 12.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.4 p 46.38 -160.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.595 1.185 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -154.24 -55.02 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' A' ' 5' ' ' ILE . 0.9 OUTLIER -30.65 -38.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.812 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.5 p -57.42 -94.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.812 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -37.29 -54.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.649 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -144.13 -161.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.566 ' HB2' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -140.67 73.44 28.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.589 1.181 . . . . 0.0 109.209 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.575 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 18.5 Cg_endo -74.98 -38.59 1.53 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.976 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.549 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -84.14 -33.19 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.566 ' CG ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -56.62 -16.81 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.72 -10.48 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 7.0 mmtt -103.55 -24.99 13.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.373 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.4 pp -93.69 -16.44 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.599 1.187 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 37.2 mt -90.91 -57.42 2.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -39.51 -24.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.234 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.578 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.86 -57.21 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.23 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.12 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.681 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.6 m-80 -92.94 -32.16 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.1 pt-20 92.52 -3.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . 104.34 16.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 18' ' ' GLU . 1.3 mm-40 -77.35 -86.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.58 1.175 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' GLU . 77.9 p -36.48 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.478 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' GLU . 29.9 p -62.5 -151.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 110.347 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -81.36 -170.69 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.86 -79.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.639 ' HG2' ' N ' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -31.11 -38.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.784 HG13 ' H ' ' A' ' 4' ' ' ASN . 1.4 p -60.85 -90.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.784 ' H ' HG13 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -36.33 -54.2 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -144.34 -165.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.5 ' CB ' ' CD ' ' A' ' 9' ' ' GLU . 8.6 mtpt -138.18 74.34 42.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.38 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD3' ' CD1' ' A' ' 5' ' ' ILE . 18.2 Cg_endo -74.99 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.589 ' O ' HG13 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -57.62 -35.66 70.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.359 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.5 ' CD ' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -57.73 -13.75 4.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.79 -12.22 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -101.51 -24.33 14.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 12' ' ' ILE . 2.2 pp -95.08 -16.8 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 35.9 mt -91.41 -56.84 2.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.365 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 HG21 ' A' ' 21' ' ' THR . 2.3 t -39.53 -24.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.567 ' HG3' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -76.7 -57.5 3.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 -9.0 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.396 1.06 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.67 ' ND2' ' O ' ' A' ' 13' ' ' LEU . 1.7 m-80 -93.99 -31.21 14.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.809 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.2 pt-20 93.77 -6.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.809 ' CB ' ' O ' ' A' ' 18' ' ' GLU . . . 121.8 4.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' C ' HG23 ' A' ' 21' ' ' THR . 3.0 mt-10 -82.08 -86.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.634 HG23 ' C ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER 62.26 -159.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 110.476 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.8 p -111.64 -151.34 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.4 p -49.14 168.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.414 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.7 52.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.071 179.926 . . . . . . . . 0 0 . 1 stop_ save_