data_1fry_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 1fry _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 ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.09 -20.65 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.56 -36.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -84.52 67.12 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 110.289 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -145.31 -49.07 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.222 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -54.36 -58.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.08 -125.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.616 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.25 112.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.654 ' HA2' ' CD2' ' A' ' 17' ' ' TYR . . . 97.26 -2.53 61.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.615 HG21 ' O ' ' A' ' 18' ' ' GLY . 2.2 p -134.75 -45.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 0.734 . . . . 0.0 109.227 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 5.3 mttt -71.3 -29.79 65.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.636 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.89 -37.1 5.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.654 ' CD2' ' HA2' ' A' ' 13' ' ' GLY . 3.7 m-30 -84.72 -71.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.615 ' O ' HG21 ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.663 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.627 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.1 tt 98.65 -79.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -80.78 9.28 6.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.663 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.44 -44.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.717 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.45 -24.11 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.717 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.98 -52.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.327 1.017 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 29' ' ' GLY . . . 62.79 35.24 13.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.364 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.45 -32.06 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.3 36.9 0.07 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.406 1.066 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -147.38 25.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.774 . . . . 0.0 110.221 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -133.07 -48.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.0 mt -55.79 -59.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.4 -126.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.332 1.02 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.27 112.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 17' ' ' TYR . . . 98.13 -5.53 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.54 1.15 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.611 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -131.47 -45.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.62 0.835 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 13.2 tttp -69.35 -29.36 67.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.198 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.5 -35.72 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.191 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.63 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 2.9 m-85 -86.65 -75.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.611 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.624 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.616 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 97.86 -76.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.04 8.1 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.624 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.2 pt -132.36 -43.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.72 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -109.32 -24.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.225 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.72 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.71 -51.53 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.04 35.54 10.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.27 -17.55 64.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -35.94 3.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.386 1.054 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.92 27.05 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.417 0.716 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.15 -49.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.389 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.62 -59.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.54 -126.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 109.226 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.77 111.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.369 1.043 . . . . 0.0 109.638 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.602 ' HA2' ' CD2' ' A' ' 17' ' ' TYR . . . 98.59 -4.6 59.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.642 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -133.21 -45.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 8.8 tptt -69.17 -30.14 68.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.62 -35.78 5.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD2' ' HA2' ' A' ' 13' ' ' GLY . 3.4 m-30 -88.73 -75.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.642 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.91 0 O-C-N 124.521 1.138 . . . . 0.0 111.085 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.655 ' HA ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.619 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.06 -78.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.92 8.56 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -131.24 -44.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.714 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.22 -23.64 4.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.584 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.62 17.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.714 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.83 -52.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.32 35.46 12.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ttm105 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.47 -55.51 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.675 1.235 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.08 -120.12 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.417 1.073 . . . . 0.0 110.999 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -84.84 115.58 22.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 0.713 . . . . 0.0 110.362 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CD ' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.5 -54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.5 HG13 ' CD ' ' A' ' 9' ' ' LYS . 46.6 mt -48.0 -55.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -84.91 -127.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.611 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.61 112.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.551 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.648 ' O ' ' CB ' ' A' ' 17' ' ' TYR . . . 98.79 -6.29 60.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.419 1.074 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.619 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -130.97 -45.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 2.4 tptt -68.95 -29.34 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.635 1.209 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.34 -35.96 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.648 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 3.9 m-85 -86.48 -75.87 0.37 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.619 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.667 ' HA ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.611 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER 96.71 -77.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -79.3 7.49 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.667 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -130.48 -44.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.711 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.66 -24.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.7 17.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.711 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.69 -51.98 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 61.62 35.21 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.914 0 O-C-N 124.504 1.127 . . . . 0.0 111.063 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.14 -9.99 20.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.82 -56.7 0.75 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.567 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -83.08 50.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -117.21 -48.13 2.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.624 1.203 . . . . 0.0 109.22 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -52.8 -55.28 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.602 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.25 -127.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.372 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.602 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.51 111.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.711 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.652 ' O ' ' CB ' ' A' ' 17' ' ' TYR . . . 98.66 -5.34 60.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.625 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -131.16 -45.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.471 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 20.4 tttm -68.68 -29.64 68.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.62 -35.52 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.652 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 8.0 m-85 -86.46 -76.17 0.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.088 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.625 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.568 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.568 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER 157.97 -77.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.104 . . . . 0.0 109.388 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 3.05 48.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -118.24 -45.76 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.34 1.025 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.29 -31.73 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.38 16.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -121.29 -50.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 70.39 45.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.571 1.169 . . . . 0.0 111.045 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.92 -6.39 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.67 11.37 53.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 2.3 mmp_? -130.61 31.47 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.502 0.766 . . . . 0.0 110.266 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 -50.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.44 -58.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.03 -126.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.13 112.4 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 17' ' ' TYR . . . 98.74 -6.43 60.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.618 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -130.96 -45.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.204 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 4.1 tptt -69.18 -29.56 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -110.94 -35.7 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.641 ' CB ' ' O ' ' A' ' 13' ' ' GLY . 2.9 m-85 -86.92 -75.76 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.618 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.666 ' CG2' ' N ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.666 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 64.9 mt 98.81 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -106.38 -0.61 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.477 HG13 ' HA ' ' A' ' 21' ' ' VAL . 4.9 pt -125.89 -40.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.78 -25.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 42.89 20.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.07 -54.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 60.67 34.22 20.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.08 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.608 0.242 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.93 -5.55 31.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.92 13.27 46.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -152.32 50.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -126.85 -44.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt -51.02 -54.67 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.479 ' CB ' HG13 ' A' ' 14' ' ' VAL . . . -160.03 173.29 16.07 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.349 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -165.07 -60.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.349 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -70.13 -13.34 69.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 3.7 p -61.85 -36.75 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -20.32 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.727 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.11 -41.98 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.615 ' CZ ' ' CD2' ' A' ' 22' ' ' LEU . 2.9 m-85 -83.82 -72.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.526 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.528 0.889 0 O-C-N 124.399 1.062 . . . . 0.0 111.093 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.659 ' HA ' HG13 ' A' ' 25' ' ' ILE . 2.9 m . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 17' ' ' TYR . 1.3 mp 69.04 138.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.612 1.195 . . . . 0.0 109.237 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 50.69 8.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.227 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.685 HG13 ' N ' ' A' ' 25' ' ' ILE . 6.9 pt -140.39 -51.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.69 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.75 -29.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 109.196 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.07 19.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.69 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -121.99 -54.97 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 65.11 37.24 6.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.565 1.166 . . . . 0.0 111.072 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.02 -54.38 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.24 -94.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -154.85 73.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 -43.33 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.508 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 42.3 mt -46.84 -52.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -163.29 178.44 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.37 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.46 -42.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.624 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.37 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.56 -16.8 72.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.373 1.045 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.583 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.9 p -66.94 -33.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.702 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.88 -41.45 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -83.42 -74.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.583 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.915 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 154.59 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -86.73 8.26 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 1.2 pt -121.72 -49.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.596 1.185 . . . . 0.0 109.431 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.71 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.97 -34.51 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.01 15.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 110.303 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.71 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.2 mt -121.31 -51.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.577 ' N ' HG23 ' A' ' 21' ' ' VAL . . . 65.27 40.06 5.06 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 110.942 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.87 -11.42 59.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 109.197 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.63 -52.74 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 33.71 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 -45.0 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -46.01 -52.24 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.41 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -164.96 174.0 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.427 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.37 -42.41 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.427 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.99 -15.47 74.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.593 HG23 ' C ' ' A' ' 18' ' ' GLY . 6.3 p -66.76 -34.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -21.3 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.682 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.66 -41.49 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -81.39 -71.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.593 ' C ' HG23 ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.078 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.633 ' HA ' HG13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -177.87 113.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 47.28 15.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.582 HG13 ' H ' ' A' ' 25' ' ' ILE . 7.2 pt -125.7 -49.19 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.04 -38.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' CA ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.63 18.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.29 -51.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 27' ' ' ILE . . . 86.0 63.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.33 -6.68 44.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 5.14 39.62 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.97 62.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 0.74 . . . . 0.0 110.241 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -124.14 -43.7 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mt -47.12 -51.52 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.47 176.88 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.369 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.7 -43.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.683 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.369 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.06 -15.82 76.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.593 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.8 p -67.16 -34.08 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -60.41 -22.43 63.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.17 -41.57 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -83.25 -73.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.418 1.074 . . . . 0.0 111.001 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.593 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.666 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 10.1 tp 98.1 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 5.4 mmm180 -80.56 8.88 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.666 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.8 pt -131.71 -44.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.713 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.11 -24.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.713 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.85 -51.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.1 35.71 12.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.395 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.78 -22.74 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.08 -129.24 2.48 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.539 1.149 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.76 112.13 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.386 0.697 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.1 -49.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.561 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 39.9 mt -50.85 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.81 174.96 13.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.38 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -155.33 -39.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.698 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.38 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.81 -18.52 70.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.9 p -65.79 -34.8 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.94 -22.36 65.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -41.11 4.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.1 m-85 -82.78 -75.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.632 ' O ' ' CG1' ' A' ' 21' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.664 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.631 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.12 -77.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -80.2 8.55 7.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.664 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.0 pt -131.55 -43.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.3 -24.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.99 -51.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.96 36.03 12.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.948 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.85 -21.37 57.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.54 -62.36 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.71 87.29 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -129.61 -43.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.66 -52.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.8 176.92 8.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.364 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.65 -43.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.616 1.197 . . . . 0.0 109.541 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.364 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.97 -15.86 76.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.594 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.9 p -66.93 -34.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -22.18 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.23 -41.65 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -83.39 -73.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.594 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.43 1.082 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.622 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 165.17 -69.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -98.13 8.04 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.063 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 pt -124.41 -45.49 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.41 -38.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.07 14.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' N ' HG23 ' A' ' 21' ' ' VAL . . . 69.94 40.86 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.665 1.228 . . . . 0.0 110.937 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -14.85 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.0 -49.42 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 61.0 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -52.58 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.391 1.057 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.59 ' O ' ' CD1' ' A' ' 22' ' ' LEU . 44.0 mt -50.73 -56.01 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB1' ' CG ' ' A' ' 23' ' ' ARG . . . -154.51 171.52 19.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.361 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -158.02 -39.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.117 . . . . 0.0 109.698 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.361 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.26 -18.81 70.75 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.557 1.161 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.49 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.4 p -64.91 -34.91 73.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.401 0.707 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -22.67 66.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.387 1.054 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.694 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.23 -40.76 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' GLY . 4.1 m-85 -82.22 -74.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.142 . . . . 0.0 110.99 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.702 ' HB ' ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.687 ' CD2' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER 152.3 -71.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.534 ' CG ' ' HB1' ' A' ' 11' ' ' ALA . 2.9 mmm180 -89.17 3.39 52.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 1.2 pt -121.2 -49.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.707 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.53 -33.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.03 17.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.707 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.55 -53.08 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.497 ' CA ' HG23 ' A' ' 21' ' ' VAL . . . 61.62 33.96 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.43 1.081 . . . . 0.0 111.071 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.07 -9.98 45.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.29 -52.27 3.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.403 1.065 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 59.85 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.267 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 -43.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.414 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.3 mt -49.37 -53.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.477 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -157.8 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.406 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.24 -41.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.693 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.406 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.21 -17.71 71.07 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.559 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.8 p -67.12 -34.39 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -61.12 -22.84 65.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.24 -41.34 4.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' GLY . 6.3 m-85 -82.91 -73.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.559 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.6 tp -69.19 147.69 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 46.72 29.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 31.3 pt -150.5 -56.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.701 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -123.17 -30.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.683 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 43.22 19.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.614 1.196 . . . . 0.0 110.357 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.701 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.63 -53.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' ILE . . . 84.94 57.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 111.101 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.46 -9.84 38.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.45 -3.32 68.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.616 1.197 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 11.57 38.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -127.01 -44.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.285 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.41 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.6 mt -48.73 -53.79 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -157.61 176.68 12.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.199 . . . . 0.0 109.31 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.406 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.15 -41.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.573 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.406 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.16 -17.59 71.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.385 1.053 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.559 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.8 p -66.97 -34.49 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -61.08 -23.1 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.665 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.01 -41.42 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.8 m-85 -82.75 -73.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.559 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.69 ' O ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -69.68 147.53 50.46 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 47.31 28.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 32.5 pt -149.86 -56.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.711 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -123.07 -29.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.87 19.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.711 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.35 -53.33 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 27' ' ' ILE . . . 85.21 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.3 -22.43 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.58 1.175 . . . . 0.0 109.212 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 0.0 111.014 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -84.64 56.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.304 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.59 -46.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.507 ' O ' ' CD1' ' A' ' 22' ' ' LEU . 38.0 mt -54.19 -58.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -88.38 -125.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.68 111.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.56 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.568 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 95.93 -3.42 64.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -135.75 -45.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.461 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -69.78 -30.51 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -110.89 -35.59 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 3.5 m-85 -85.66 -74.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.604 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.079 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.685 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.575 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER 171.74 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CG ' HG11 ' A' ' 14' ' ' VAL . 6.0 mmt85 -98.13 6.58 47.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.645 1.216 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 pt -121.64 -44.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.701 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -115.14 -39.32 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.575 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.97 14.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.701 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.77 -49.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.541 ' N ' HG22 ' A' ' 21' ' ' VAL . . . 67.38 35.83 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.495 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.4 mt -76.25 -54.41 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.35 -94.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.416 ' NH2' ' HE3' ' A' ' 15' ' ' LYS . 1.2 mmp_? -135.43 78.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -127.54 -50.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.385 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.466 ' CG2' HD23 ' A' ' 22' ' ' LEU . 36.3 mt -55.84 -59.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.602 1.189 . . . . 0.0 109.357 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.599 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -71.59 -121.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.153 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.24 112.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.709 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.613 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.22 -4.67 58.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.59 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -134.11 -46.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 2.7 ttpt -70.3 -30.61 67.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.401 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.85 -35.96 6.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.613 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 7.6 m-85 -86.25 -72.38 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.59 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.593 ' HA ' HG13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' C ' ' N ' ' A' ' 24' ' ' ILE . 1.9 tm? 175.68 112.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 2.6 mmm180 47.36 15.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.581 HG13 ' H ' ' A' ' 25' ' ' ILE . 8.5 pt -125.49 -49.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.72 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.64 -37.88 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.472 ' CA ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.28 18.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.72 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.26 -52.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.533 ' CB ' HG13 ' A' ' 21' ' ' VAL . . . 85.37 36.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.371 1.044 . . . . 0.0 109.345 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.65 -5.89 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.84 60.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -154.83 40.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 110.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -126.12 -47.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.404 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -54.39 -57.85 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.05 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.613 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.17 -125.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.88 112.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.573 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.511 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 97.95 -3.24 60.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.624 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.6 p -134.68 -45.85 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 35.3 mttt -69.31 -30.24 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.626 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.36 -35.83 5.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.511 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 9.8 m-85 -87.94 -75.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.624 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.636 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER 98.19 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.06 9.58 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.75 -44.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.25 -24.19 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.12 -51.8 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' GLY . . . 62.77 35.08 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.528 0.902 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.31 -7.98 35.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.08 15.32 81.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.97 47.06 2.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 0.779 . . . . 0.0 110.336 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -131.01 -46.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CG2' ' HG3' ' A' ' 23' ' ' ARG . 36.4 mt -55.35 -59.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.7 -125.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.89 112.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.607 1.192 . . . . 0.0 109.604 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.602 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 98.38 -4.05 59.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.606 ' CG2' ' CD1' ' A' ' 24' ' ' ILE . 1.7 p -133.44 -45.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 0.783 . . . . 0.0 109.364 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 7.2 mptt -70.34 -29.26 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.66 -36.25 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 4.2 m-85 -85.99 -73.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.603 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.596 ' HA ' HG13 ' A' ' 25' ' ' ILE . 1.5 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.586 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER 95.37 127.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.386 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG3' ' CG2' ' A' ' 10' ' ' ILE . 3.9 mmt180 48.61 11.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.353 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.652 HG13 ' N ' ' A' ' 25' ' ' ILE . 6.2 pt -133.71 -50.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.708 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -120.56 -26.7 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.12 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.708 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -117.0 -56.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HA ' ' CG1' ' A' ' 21' ' ' VAL . . . 68.4 46.09 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.426 1.079 . . . . 0.0 111.08 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.483 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 46.4 ttt85 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.82 -6.0 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.08 -43.19 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.628 1.205 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -84.15 42.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 26.9 tptt -147.8 -46.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.26 -56.93 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.207 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.34 -126.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.38 112.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.543 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 98.09 -4.11 60.59 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.638 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -133.64 -46.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 0.833 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 16.5 tptt -69.73 -30.92 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.88 -35.84 6.05 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 4.7 m-85 -87.72 -73.01 0.5 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 111.083 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.638 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.537 ' CB ' HG13 ' A' ' 25' ' ' ILE . 29.3 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.722 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 11.3 tp 56.85 145.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 52.54 12.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.722 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -151.57 -59.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.72 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.22 -28.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.401 1.063 . . . . 0.0 109.244 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 40.77 22.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.72 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -118.79 -55.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.636 1.21 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 65.3 40.62 4.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.493 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.24 -54.96 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.215 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.485 ' O ' ' CZ ' ' A' ' 8' ' ' ARG . . . -37.23 -94.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 10.1 mmp_? -135.24 79.99 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 0.722 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.493 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.9 tptt -128.87 -45.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.09 -58.04 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.1 -126.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.23 110.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.536 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.577 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.33 -3.66 58.16 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.89 -42.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.595 0.821 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 5.7 tptm -71.54 -33.14 68.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.183 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.71 -34.48 6.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 2.9 m-85 -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.621 1.201 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.624 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 tp 97.93 -74.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.06 5.21 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.598 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.45 -43.31 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.713 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.49 -24.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER 44.74 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.713 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.79 -51.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.22 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.98 35.37 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.38 -54.96 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.37 -93.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.574 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 1.3 mpt_? -135.73 81.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -130.04 -44.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.92 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.5 -57.67 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.93 -127.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.608 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.36 110.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 109.584 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.577 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.27 -3.5 58.18 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.96 -42.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -33.13 69.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -34.5 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 4.5 m-85 -85.05 -45.23 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.613 ' HA ' HG13 ' A' ' 24' ' ' ILE . 1.1 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.639 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 27.5 mt 94.03 -72.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -78.75 4.49 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.613 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.85 -43.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -107.2 -24.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.389 1.056 . . . . 0.0 109.234 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.639 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.65 17.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.389 1.055 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.04 -51.66 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . 63.55 35.44 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.3 ptt180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.6 mt -76.39 -54.65 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.48 -94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.46 82.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 8.4 tptt -130.78 -44.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -53.47 -57.56 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.205 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.73 -126.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.653 1.221 . . . . 0.0 109.374 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.57 110.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.675 1.235 . . . . 0.0 109.655 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.579 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.1 -3.24 58.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.9 -42.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.386 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 2.1 tppt? -71.27 -32.86 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.43 -34.75 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.662 1.227 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.579 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.46 -44.78 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 25' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.679 ' HA ' HG13 ' A' ' 25' ' ' ILE . 2.4 m . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER 88.42 130.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.38 13.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.652 HG13 ' N ' ' A' ' 25' ' ' ILE . 7.2 pt -137.82 -50.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.679 HG13 ' HA ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.52 -29.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 41.85 19.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 1.05 . . . . 0.0 110.25 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.677 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.77 -54.77 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 63.66 35.77 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.074 179.917 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.4 ttt180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.41 -55.02 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.32 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -135.79 81.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.252 -179.887 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.41 -45.08 1.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.163 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.27 -57.7 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.26 110.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.557 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.578 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.42 -3.51 57.95 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.595 1.185 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.46 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.95 -42.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -33.44 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.61 -34.83 6.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.897 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.578 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 3.9 m-85 -84.22 -44.88 13.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 97.7 -74.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -79.92 7.37 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.594 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.7 pt -132.87 -43.22 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.721 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.52 17.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.721 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.01 -51.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.24 35.18 12.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.161 . . . . 0.0 111.045 -179.973 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.1 ttm180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.1 mt -76.15 -52.15 10.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -35.78 -93.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.574 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 2.2 mmt85 -137.93 70.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.7 tptt -121.78 -50.18 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.03 -56.46 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.604 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.83 -127.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.191 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.604 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.86 110.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.49 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.561 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 98.87 -3.75 58.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.519 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -135.33 -43.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.412 0.713 . . . . 0.0 109.388 179.852 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -34.41 71.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.48 -34.59 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 5.9 m-85 -85.7 -44.7 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.52 ' O ' HG13 ' A' ' 21' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.419 1.075 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.675 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.516 ' H ' ' CG1' ' A' ' 24' ' ' ILE . 1.5 mt -140.18 124.7 18.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.435 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 5.7 mmm180 49.28 13.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.08 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.517 HD11 ' CG1' ' A' ' 25' ' ' ILE . 1.2 pt -121.64 -54.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.73 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.59 -36.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.936 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' CD ' ' HA ' ' A' ' 23' ' ' ARG . 0.5 OUTLIER 41.92 17.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.73 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.31 -50.81 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' CB ' HG11 ' A' ' 21' ' ' VAL . . . 65.37 36.13 7.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.582 1.176 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 9.2 mtm180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.4 mt -75.55 -54.96 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -43.51 -95.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -152.36 74.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.369 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.05 -44.58 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 38.5 mt -53.55 -57.42 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.606 1.192 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.46 110.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.582 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.13 -3.56 58.4 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.436 1.085 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.459 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.99 -42.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -70.9 -33.56 70.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.612 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.41 -34.82 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.582 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 3.5 m-85 -84.26 -44.86 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.677 ' C ' ' H ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -64.71 14.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.677 ' H ' ' C ' ' A' ' 21' ' ' VAL . 7.0 ptm180 -141.21 5.11 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.612 ' CG1' ' HA ' ' A' ' 21' ' ' VAL . 8.2 pt -142.7 -42.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.71 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.42 -27.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.5 19.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.71 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -118.88 -52.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.92 35.84 10.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.878 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mtm180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.27 -52.46 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -44.21 -99.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -129.04 85.37 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 5.8 tmtt? -125.72 -48.18 1.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -44.65 -51.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.66 176.22 9.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.614 1.196 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.345 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.05 -43.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.075 . . . . 0.0 109.542 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.345 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.63 -17.01 74.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.597 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p -66.04 -31.8 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -24.73 67.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.201 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -39.94 5.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.1 m-85 -81.86 -45.96 14.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.078 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.643 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.574 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER 168.1 -74.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -93.32 8.39 40.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.467 ' CD1' ' HA2' ' A' ' 18' ' ' GLY . 1.6 pt -123.91 -46.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.194 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.714 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.45 -39.18 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.175 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.76 14.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.065 . . . . 0.0 110.31 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.714 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.22 -49.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' N ' HG23 ' A' ' 21' ' ' VAL . . . 67.83 42.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.386 1.054 . . . . 0.0 111.087 179.93 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.89 -18.9 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.13 -20.22 0.74 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.604 1.19 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.37 9.83 12.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.553 0.796 . . . . 0.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 -43.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.78 -51.99 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.381 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.11 176.74 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.343 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.29 -42.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.343 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.64 -17.03 74.14 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p -65.99 -31.8 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.527 0.78 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -61.9 -24.66 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.68 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.21 -39.89 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.218 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.509 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 4.6 m-85 -82.11 -45.93 14.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.626 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.626 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 2.5 tp 97.96 -74.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 5.19 12.85 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.593 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.41 -43.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.32 -24.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.238 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.23 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.82 -51.6 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.51 35.39 11.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.366 1.041 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -76.05 -19.55 58.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.9 -53.58 0.1 OUTLIER Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.67 98.37 7.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 0.717 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.55 -43.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -45.63 -51.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.29 176.67 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.216 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.342 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.14 -43.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.342 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.51 -17.1 74.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p -66.01 -31.78 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -61.89 -24.73 67.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.02 -39.92 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' GLY . 3.1 m-85 -81.89 -46.03 14.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.642 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.581 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 2.1 tp 169.96 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.0 mmp_? -93.56 9.11 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CD1' ' HA2' ' A' ' 18' ' ' GLY . 1.7 pt -124.74 -46.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.369 1.043 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.713 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.8 -39.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.24 -179.93 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.581 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.65 14.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.888 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.713 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 2.9 mt -121.5 -49.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.533 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.86 39.67 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.399 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.153 . . . . 0.0 110.953 179.955 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.5 mt -73.79 -50.67 19.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.74 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.596 1.185 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -147.03 74.5 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.348 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.18 -43.43 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 42.6 mt -46.8 -52.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -163.63 177.05 9.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.353 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.31 -43.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.353 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.47 -16.82 75.0 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.3 p -66.39 -31.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -62.02 -23.98 66.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.679 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.0 -40.02 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.1 m-30 -81.33 -45.69 15.81 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.656 ' HA ' HG13 ' A' ' 25' ' ' ILE . 5.0 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.516 ' C ' ' N ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER 83.52 132.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 47.89 13.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 1.069 . . . . 0.0 110.352 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.657 HG13 ' N ' ' A' ' 25' ' ' ILE . 7.7 pt -138.88 -50.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.684 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.83 -30.37 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.373 1.046 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.12 18.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.684 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.83 -54.14 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.484 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 70.24 37.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.25 -8.69 41.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.41 -55.53 2.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.424 1.077 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -86.76 46.36 1.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.591 0.818 . . . . 0.0 110.249 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -125.51 -43.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -46.51 -51.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.12 176.76 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.353 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.4 -43.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.353 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.45 -16.93 74.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.6 p -65.92 -31.89 55.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.592 0.819 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -24.65 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.671 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.08 -40.04 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 3.1 m-85 -81.69 -45.59 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.924 0 O-C-N 124.451 1.095 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.64 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.539 ' H ' ' CG1' ' A' ' 24' ' ' ILE . 5.1 tp -138.64 122.41 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.6 mmm180 48.99 15.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.539 ' CG1' ' H ' ' A' ' 22' ' ' LEU . 1.4 pt -122.55 -53.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.729 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.76 -35.54 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 41.22 17.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.625 1.203 . . . . 0.0 110.356 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.729 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.23 -51.58 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' CB ' HG13 ' A' ' 21' ' ' VAL . . . 72.15 47.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.948 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.29 -54.8 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.19 -93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -136.77 79.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.389 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -127.6 -42.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 -179.87 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.8 mt -46.02 -51.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.4 176.65 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.346 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.06 -43.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.346 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.59 -17.02 74.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.6 p -65.94 -31.95 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 0.815 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -61.7 -24.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.679 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.1 -40.18 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.517 ' CG ' HD12 ' A' ' 24' ' ' ILE . 3.1 m-85 -81.54 -45.49 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.4 1.062 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.753 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 24' ' ' ILE . 2.2 mm? -71.71 151.27 43.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 47.36 22.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.755 HG13 ' N ' ' A' ' 25' ' ' ILE . 10.0 pt -144.18 -55.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.755 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -122.32 -28.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER 42.82 20.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.709 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -120.04 -54.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.204 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 21' ' ' VAL . . . 83.97 44.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.489 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.8 mt -76.2 -54.97 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.6 1.188 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.72 -93.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.485 1.116 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.15 79.15 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 0.704 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -127.34 -42.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.903 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 mt -46.02 -51.52 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -165.52 176.58 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.349 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.349 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.47 -16.88 74.86 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.7 p -66.17 -32.05 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 0.709 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -61.29 -25.22 66.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.913 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.671 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.27 -40.37 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.413 1.07 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -81.23 -44.96 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.652 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.638 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 3.6 tt 98.88 -78.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 9.78 6.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.652 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.92 -44.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.709 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.61 -23.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.51 17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.709 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.92 -51.85 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.22 35.14 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.967 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.84 -29.63 70.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.22 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.18 17.19 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 0.808 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -144.43 -67.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -55.52 -59.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.431 ' CB ' HG13 ' A' ' 14' ' ' VAL . . . -95.76 -177.1 3.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.359 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -179.25 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.888 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.359 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -69.53 -14.89 70.1 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 18' ' ' GLY . 14.6 p -61.76 -33.59 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.82 -23.4 67.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.693 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.48 -39.95 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.872 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 2.9 m-85 -82.72 -46.61 12.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.608 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.608 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER 97.01 -82.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.211 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 28.42 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.573 HG13 ' HA ' ' A' ' 21' ' ' VAL . 3.9 pt -150.79 -44.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.9 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.721 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -113.23 -25.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.78 17.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.721 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -119.88 -51.91 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 69.19 39.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.93 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.56 -30.13 70.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 39.29 0.03 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.479 1.112 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -145.24 17.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.619 0.835 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.36 -44.1 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.08 -52.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -165.46 176.47 8.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.357 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.72 -43.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.582 -179.92 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.357 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.42 -16.72 75.35 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.545 1.153 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.594 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.8 p -66.15 -32.35 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -61.17 -24.63 66.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.07 -40.27 5.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.52 -45.04 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.636 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER 169.87 -66.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.218 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.546 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.53 7.68 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -124.4 -44.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.704 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -114.66 -39.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.29 14.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.704 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.63 -49.0 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 21' ' ' VAL . . . 70.01 43.29 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.172 . . . . 0.0 111.01 179.995 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.38 -54.9 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.98 -93.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -136.94 79.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.3 tptt -127.49 -43.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.9 mt -46.14 -51.49 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.399 1.062 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.56 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 1.353 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.623 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 1.353 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.55 -16.85 74.77 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.7 p -66.09 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -24.92 66.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.67 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.83 -40.18 5.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 109.378 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' GLY . 9.9 m-85 -80.92 -45.06 17.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.662 ' HA ' HG13 ' A' ' 24' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.629 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 0.7 OUTLIER 97.98 -79.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 13.48 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.216 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.662 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pt -134.11 -45.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -111.07 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.07 17.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.1 -51.76 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.487 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 68.81 45.07 1.03 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.448 1.093 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.546 1.154 . . . . 0.0 110.911 -179.904 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.8 ptp180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.35 -55.15 5.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.05 -94.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -135.24 82.53 1.96 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.18 -44.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -53.55 -57.68 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.04 -127.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.09 110.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.645 1.215 . . . . 0.0 109.651 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.664 ' HA2' ' CD2' ' A' ' 17' ' ' TYR . . . 99.57 -3.87 57.89 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.591 1.182 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -135.31 -42.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.897 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -33.03 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.197 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.39 -34.99 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.664 ' CD2' ' HA2' ' A' ' 13' ' ' GLY . 3.2 m-30 -84.79 -45.39 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.472 ' HA2' ' CD1' ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.655 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER 168.55 -75.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -92.32 9.04 35.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.472 ' CD1' ' HA2' ' A' ' 18' ' ' GLY . 1.6 pt -124.39 -46.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.26 -39.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.6 14.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.73 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 68.13 44.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 179.994 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.0 ttt180 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.0 mt -76.52 -55.02 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.79 -94.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.115 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.55 83.73 2.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.479 0.752 . . . . 0.0 110.323 179.941 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -130.52 -45.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.562 1.164 . . . . 0.0 109.408 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.2 mt -53.15 -57.7 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.81 -127.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.24 110.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.578 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.46 -3.52 57.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -136.09 -42.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.604 0.826 . . . . 0.0 109.212 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -32.78 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.572 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.37 -34.5 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.578 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.78 -44.89 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 25' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.072 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.65 ' HA ' HG13 ' A' ' 25' ' ' ILE . 2.8 m . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.525 ' C ' ' N ' ' A' ' 24' ' ' ILE . 1.7 tt 87.49 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.221 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 48.15 12.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.643 HG13 ' N ' ' A' ' 25' ' ' ILE . 7.3 pt -137.06 -50.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.706 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.53 -25.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.66 25.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.706 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -116.82 -56.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HA ' ' CG1' ' A' ' 21' ' ' VAL . . . 70.94 47.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.376 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 -179.934 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.632 0.253 . . . . 0.0 110.402 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.19 -54.93 6.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.04 -92.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.412 1.07 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.6 77.54 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.8 tptt -144.4 -71.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.19 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 mt -61.95 -68.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.603 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -89.24 -129.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.603 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 45.8 109.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.561 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.576 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 100.18 -3.96 57.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -136.19 -42.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -71.49 -32.71 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.76 -34.48 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.576 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 3.6 m-85 -84.87 -44.54 13.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.719 ' HA ' HG13 ' A' ' 25' ' ' ILE . 2.4 m . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.534 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.8 tt 91.37 128.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 -179.888 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 2.2 mmm180 47.85 13.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.367 1.042 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.644 HG13 ' N ' ' A' ' 25' ' ' ILE . 7.4 pt -136.5 -49.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.719 HG13 ' HA ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.52 -29.83 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.647 1.217 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 41.91 19.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.601 1.188 . . . . 0.0 110.298 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.676 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.56 -55.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 63.68 36.49 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.63 1.206 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.915 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.495 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.2 ptm180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -75.94 -53.03 9.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -46.37 -101.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.366 1.041 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.05 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -133.31 -50.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.2 mt -52.77 -57.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.226 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.65 -126.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.73 110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.519 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.56 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.09 -3.14 58.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.484 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -135.3 -42.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 0.791 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -70.92 -33.69 70.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -34.76 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.8 -44.85 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.925 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.917 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.636 ' HA ' HG13 ' A' ' 25' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.542 ' H ' ' CG1' ' A' ' 24' ' ' ILE . 1.8 tm? -144.49 120.27 10.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.61 1.194 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 46.58 17.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 110.36 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.584 HG13 ' H ' ' A' ' 25' ' ' ILE . 2.0 pt -125.09 -51.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.724 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.15 -37.53 2.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' N ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.03 16.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.724 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.91 -51.67 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.55 ' CB ' HG11 ' A' ' 21' ' ' VAL . . . 83.77 61.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.581 1.176 . . . . 0.0 110.956 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.67 -45.04 0.29 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.2 mt -40.69 147.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.257 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.01 39.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 175.77 -32.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.608 1.193 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.09 -20.65 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.56 -36.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -84.52 67.12 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 110.289 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -145.31 -49.07 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.222 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -54.36 -58.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.08 -125.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.616 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.25 112.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.654 ' HA2' ' CD2' ' A' ' 17' ' ' TYR . . . 97.26 -2.53 61.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.615 HG21 ' O ' ' A' ' 18' ' ' GLY . 2.2 p -134.75 -45.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 0.734 . . . . 0.0 109.227 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 5.3 mttt -71.3 -29.79 65.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.636 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.89 -37.1 5.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.654 ' CD2' ' HA2' ' A' ' 13' ' ' GLY . 3.7 m-30 -84.72 -71.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.615 ' O ' HG21 ' A' ' 14' ' ' VAL . . . 143.92 -45.49 0.87 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.646 ' O ' ' HB ' ' A' ' 20' ' ' THR . 18.1 Cg_endo -74.96 -90.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.507 1.793 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.646 ' HB ' ' O ' ' A' ' 19' ' ' PRO . 11.0 t 173.61 -26.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.663 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -50.55 -171.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.627 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.1 tt 98.65 -79.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -80.78 9.28 6.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.663 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.44 -44.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.717 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.45 -24.11 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.717 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.98 -52.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.327 1.017 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 29' ' ' GLY . . . 62.79 35.24 13.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.364 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.501 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 72.4 mtt180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.12 -165.61 8.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 6' ' ' LEU . 2.6 pt? -125.85 -47.06 1.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.52 36.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -35.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 3' ' ' LEU . 20.1 mt -66.45 -32.06 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.3 36.9 0.07 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.406 1.066 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 1' ' ' ARG . 80.2 mtt180 -147.38 25.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.774 . . . . 0.0 110.221 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -133.07 -48.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.0 mt -55.79 -59.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.4 -126.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.332 1.02 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.27 112.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 17' ' ' TYR . . . 98.13 -5.53 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.54 1.15 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.67 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 0.4 OUTLIER -131.47 -45.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.62 0.835 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 13.2 tttp -69.35 -29.36 67.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.198 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.5 -35.72 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.191 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.8 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 2.9 m-85 -86.65 -75.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.756 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 116.65 -33.68 4.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.8 ' CD ' ' HB3' ' A' ' 17' ' ' TYR . 18.1 Cg_endo -75.03 -23.63 13.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.67 ' CG2' ' HB ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -29.71 -50.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.456 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.624 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -51.43 -172.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.616 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 97.86 -76.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.04 8.1 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.624 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.2 pt -132.36 -43.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.72 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -109.32 -24.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.225 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.72 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.71 -51.53 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.04 35.54 10.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.587 0.232 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.03 -39.6 0.56 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.3 mt -137.06 -94.83 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.708 0.887 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 174.47 117.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 165.02 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.62 1.2 . . . . 0.0 110.333 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.27 -17.55 64.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -35.94 3.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.386 1.054 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.92 27.05 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.417 0.716 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.15 -49.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.389 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.62 -59.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.54 -126.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 109.226 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.77 111.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.369 1.043 . . . . 0.0 109.638 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.602 ' HA2' ' CD2' ' A' ' 17' ' ' TYR . . . 98.59 -4.6 59.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.642 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -133.21 -45.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 8.8 tptt -69.17 -30.14 68.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.62 -35.78 5.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD2' ' HA2' ' A' ' 13' ' ' GLY . 3.4 m-30 -88.73 -75.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.642 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . 127.74 -44.88 1.19 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.521 1.138 . . . . 0.0 111.085 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 1.098 ' O ' ' N ' ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.02 -91.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.394 1.734 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.526 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 11.7 t 37.28 -59.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 1.098 ' N ' ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -50.47 -172.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.619 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.06 -78.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.92 8.56 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -131.24 -44.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.714 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.22 -23.64 4.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.584 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.62 17.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.714 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.83 -52.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.32 35.46 12.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -99.15 -176.48 31.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.76 99.97 8.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -158.62 -60.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ttm105 170.24 -29.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.47 -55.51 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.675 1.235 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.08 -120.12 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.417 1.073 . . . . 0.0 110.999 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -84.84 115.58 22.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 0.713 . . . . 0.0 110.362 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CD ' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.5 -54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.5 HG13 ' CD ' ' A' ' 9' ' ' LYS . 46.6 mt -48.0 -55.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -84.91 -127.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.611 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.61 112.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.551 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.648 ' O ' ' CB ' ' A' ' 17' ' ' TYR . . . 98.79 -6.29 60.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.419 1.074 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.631 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 0.5 OUTLIER -130.97 -45.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 2.4 tptt -68.95 -29.34 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.635 1.209 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.34 -35.96 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.849 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 3.9 m-85 -86.48 -75.87 0.37 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.782 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 116.05 -32.12 5.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.849 ' CD ' ' HB3' ' A' ' 17' ' ' TYR . 18.3 Cg_endo -74.99 -21.92 15.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.631 ' CG2' ' HB ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -41.02 80.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.455 1.097 . . . . 0.0 110.388 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.733 ' N ' ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -50.01 -172.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.611 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER 96.71 -77.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -79.3 7.49 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.667 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -130.48 -44.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.711 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.66 -24.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.7 17.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.711 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.69 -51.98 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 61.62 35.21 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.914 0 O-C-N 124.504 1.127 . . . . 0.0 111.063 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.22 150.67 19.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ARG . 20.6 mt -85.62 -75.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.736 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 3' ' ' LEU . 3.6 mtt180 44.24 -168.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.86 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.14 -9.99 20.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.82 -56.7 0.75 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.567 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -83.08 50.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -117.21 -48.13 2.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.624 1.203 . . . . 0.0 109.22 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -52.8 -55.28 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.25 -127.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.372 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.602 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.51 111.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.711 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.652 ' O ' ' CB ' ' A' ' 17' ' ' TYR . . . 98.66 -5.34 60.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.625 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -131.16 -45.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 20.4 tttm -68.68 -29.64 68.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.62 -35.52 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.831 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 8.0 m-85 -86.46 -76.17 0.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.088 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.772 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 115.86 -32.59 5.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.831 ' CD ' ' HB3' ' A' ' 17' ' ' TYR . 18.0 Cg_endo -75.0 -20.97 16.34 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.549 1.815 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.621 ' CG2' ' HB ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -40.2 76.67 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.797 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -39.67 148.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.568 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER 157.97 -77.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.104 . . . . 0.0 109.388 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 3.05 48.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -118.24 -45.76 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.34 1.025 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.29 -31.73 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.38 16.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -121.29 -50.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 70.39 45.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.571 1.169 . . . . 0.0 111.045 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.527 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.629 0.252 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.08 -42.08 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.405 1.066 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.61 152.0 26.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 109.342 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.85 100.73 11.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 110.239 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 173.44 -29.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 1' ' ' ARG . 15.7 mt -69.92 -6.39 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.67 11.37 53.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.56 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 2.3 mmp_? -130.61 31.47 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.502 0.766 . . . . 0.0 110.266 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 -50.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.44 -58.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.03 -126.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.13 112.4 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 17' ' ' TYR . . . 98.74 -6.43 60.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.628 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 0.4 OUTLIER -130.96 -45.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.204 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 4.1 tptt -69.18 -29.56 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -110.94 -35.7 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.846 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 2.9 m-85 -86.92 -75.76 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.781 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 115.9 -32.21 5.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.846 ' CD ' ' HB3' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.98 -20.92 16.43 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.812 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.628 ' CG2' ' HB ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -42.0 77.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.778 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -44.81 176.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.666 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 64.9 mt 98.81 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -106.38 -0.61 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.477 HG13 ' HA ' ' A' ' 21' ' ' VAL . 4.9 pt -125.89 -40.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.78 -25.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 42.89 20.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.07 -54.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 60.67 34.22 20.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.08 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 4' ' ' ARG . . . 112.55 112.07 3.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 4' ' ' ARG . 5.5 mp 40.13 -97.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER 83.61 81.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 110.344 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.44 -36.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.93 -5.55 31.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.92 13.27 46.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -152.32 50.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -126.85 -44.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt -51.02 -54.67 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.479 ' CB ' HG13 ' A' ' 14' ' ' VAL . . . -160.03 173.29 16.07 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.349 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -165.07 -60.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.349 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -70.13 -13.34 69.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 19' ' ' PRO . 3.7 p -61.85 -36.75 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -20.32 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.727 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.11 -41.98 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.615 ' CZ ' ' CD2' ' A' ' 22' ' ' LEU . 2.9 m-85 -83.82 -72.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.583 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 147.58 -46.29 0.72 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.399 1.062 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.583 ' O ' HG21 ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.08 -89.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 19' ' ' PRO . 1.2 t 169.23 -34.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.175 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.659 ' HA ' HG13 ' A' ' 25' ' ' ILE . 2.9 m -57.89 -146.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 17' ' ' TYR . 1.3 mp 69.04 138.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.612 1.195 . . . . 0.0 109.237 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 50.69 8.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.227 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.685 HG13 ' N ' ' A' ' 25' ' ' ILE . 6.9 pt -140.39 -51.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.69 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.75 -29.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 109.196 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.07 19.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.69 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -121.99 -54.97 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 65.11 37.24 6.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.565 1.166 . . . . 0.0 111.072 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.69 -138.64 14.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -149.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 0.713 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -47.92 142.87 4.58 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -179.94 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 110.338 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.02 -54.38 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.24 -94.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -154.85 73.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 -43.33 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.508 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 42.3 mt -46.84 -52.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -163.29 178.44 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.37 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.46 -42.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.624 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.37 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.56 -16.8 72.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.373 1.045 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.583 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.9 p -66.94 -33.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.702 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.88 -41.45 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.553 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 6.6 m-85 -83.42 -74.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.64 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.61 -42.06 1.84 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 18.0 Cg_endo -75.11 -29.19 8.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.578 ' CG2' ' HB ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -27.04 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -37.62 158.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.565 1.166 . . . . 0.0 109.183 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 154.59 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -86.73 8.26 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 1.2 pt -121.72 -49.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.596 1.185 . . . . 0.0 109.431 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.71 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.97 -34.51 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.01 15.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 110.303 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.71 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.2 mt -121.31 -51.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.577 ' N ' HG23 ' A' ' 21' ' ' VAL . . . 65.27 40.06 5.06 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 110.942 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.2 -157.01 27.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -163.56 49.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -148.02 -174.7 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 175.79 18.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.35 1.031 . . . . 0.0 110.359 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.87 -11.42 59.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 109.197 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.63 -52.74 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 33.71 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.59 -45.0 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -46.01 -52.24 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -164.96 174.0 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.427 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.37 -42.41 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.427 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.99 -15.47 74.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.593 HG23 ' C ' ' A' ' 18' ' ' GLY . 6.3 p -66.76 -34.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -21.3 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.682 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.66 -41.49 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.548 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 5.8 m-85 -81.39 -71.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.608 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 141.02 -44.57 1.02 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.09 -88.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.573 1.828 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.596 ' O ' ' C ' ' A' ' 21' ' ' VAL . 2.2 t 171.83 -23.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.633 ' HA ' HG13 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -23.15 137.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.369 1.043 . . . . 0.0 109.218 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.591 ' CD1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -177.87 113.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 47.28 15.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.582 HG13 ' H ' ' A' ' 25' ' ' ILE . 7.2 pt -125.7 -49.19 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.04 -38.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' CA ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.63 18.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.29 -51.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 27' ' ' ILE . . . 86.0 63.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 10' ' ' ILE . . . 105.28 56.11 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.49 ' C ' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -162.02 115.3 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.25 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -162.81 -40.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.33 -6.68 44.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 3' ' ' LEU . . . 68.14 5.14 39.62 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.97 62.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 0.74 . . . . 0.0 110.241 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -124.14 -43.7 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 2' ' ' GLY . 44.0 mt -47.12 -51.52 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.47 176.88 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.369 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.7 -43.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.683 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.369 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.06 -15.82 76.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.593 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.8 p -67.16 -34.08 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -60.41 -22.43 63.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.17 -41.57 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.568 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 14.2 m-85 -83.25 -73.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.418 1.074 . . . . 0.0 111.001 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.604 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 131.29 -44.22 1.23 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 18.1 Cg_endo -74.99 -73.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.562 HG21 ' CG2' ' A' ' 14' ' ' VAL . 4.6 t 55.74 17.72 2.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.666 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -51.38 -171.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 10.1 tp 98.1 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 5.4 mmm180 -80.56 8.88 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.666 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.8 pt -131.71 -44.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.713 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.11 -24.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.713 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.85 -51.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.1 35.71 12.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.395 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' CZ ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.95 -122.86 2.28 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.451 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 49.69 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -128.51 2.8 5.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.376 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER 158.8 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.416 1.073 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.78 -22.74 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA3' ' CD2' ' A' ' 3' ' ' LEU . . . -141.08 -129.24 2.48 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.539 1.149 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.76 112.13 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.386 0.697 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.1 -49.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.561 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 39.9 mt -50.85 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.81 174.96 13.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.38 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -155.33 -39.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.698 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.38 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.81 -18.52 70.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.599 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 1.9 p -65.79 -34.8 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.94 -22.36 65.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -41.11 4.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.591 ' C ' ' CD ' ' A' ' 19' ' ' PRO . 3.1 m-85 -82.78 -75.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.661 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 116.45 -40.69 2.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 18.7 Cg_endo -74.92 -17.07 20.08 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.501 1.79 . . . . 0.0 111.066 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.603 ' O ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -47.4 -10.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.664 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -47.62 -171.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.631 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.12 -77.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -80.2 8.55 7.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.664 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.0 pt -131.55 -43.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.3 -24.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.99 -51.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 62.96 36.03 12.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.948 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.67 133.46 2.84 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -94.09 95.62 9.12 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 0.751 . . . . 0.0 109.239 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 4.3 mtt-85 -93.67 -72.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 154.23 17.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.355 1.034 . . . . 0.0 110.367 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.85 -21.37 57.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.54 -62.36 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.71 87.29 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -129.61 -43.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.66 -52.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.8 176.92 8.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.364 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.65 -43.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.616 1.197 . . . . 0.0 109.541 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.364 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.97 -15.86 76.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.594 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.9 p -66.93 -34.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -22.18 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.23 -41.65 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 15.6 m-85 -83.39 -73.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 131.53 -44.28 1.22 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.43 1.082 . . . . 0.0 111.036 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.01 -73.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.572 HG21 ' CG2' ' A' ' 14' ' ' VAL . 4.5 t 56.14 17.32 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.622 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -29.74 144.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 165.17 -69.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -98.13 8.04 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.063 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 pt -124.41 -45.49 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.41 -38.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.07 14.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' N ' HG23 ' A' ' 21' ' ' VAL . . . 69.94 40.86 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.665 1.228 . . . . 0.0 110.937 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.508 ' O ' ' C ' ' A' ' 3' ' ' LEU . . . 116.21 -40.91 2.26 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' GLY . 5.0 mt -32.18 97.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.524 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 3.4 mmt-85 -54.83 89.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.524 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 14.7 ptt180 159.26 21.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.19 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -14.85 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.0 -49.42 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 61.0 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -52.58 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.391 1.057 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.59 ' O ' ' CD1' ' A' ' 22' ' ' LEU . 44.0 mt -50.73 -56.01 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB1' ' CG ' ' A' ' 23' ' ' ARG . . . -154.51 171.52 19.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.361 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -158.02 -39.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.117 . . . . 0.0 109.698 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.361 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.26 -18.81 70.75 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.557 1.161 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.513 ' HB ' HG21 ' A' ' 20' ' ' THR . 2.4 p -64.91 -34.91 73.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.401 0.707 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -22.67 66.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.387 1.054 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.694 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.23 -40.76 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.649 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 4.1 m-85 -82.22 -74.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.697 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 117.14 -38.78 2.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.142 . . . . 0.0 110.99 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 18.4 Cg_endo -74.95 -28.98 8.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.673 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.9 OUTLIER -64.17 61.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.702 ' HB ' ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -37.31 153.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.687 ' CD2' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER 152.3 -71.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.534 ' CG ' ' HB1' ' A' ' 11' ' ' ALA . 2.9 mmm180 -89.17 3.39 52.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 1.2 pt -121.2 -49.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.707 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.53 -33.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.03 17.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.707 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.55 -53.08 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.497 ' CA ' HG23 ' A' ' 21' ' ' VAL . . . 61.62 33.96 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.43 1.081 . . . . 0.0 111.071 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.89 -133.04 7.04 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -130.79 161.7 31.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.645 0.85 . . . . 0.0 109.375 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 49.67 -92.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 0.5 OUTLIER 161.77 -24.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.614 1.196 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.07 -9.98 45.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.29 -52.27 3.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.403 1.065 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 59.85 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.267 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 -43.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.414 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.3 mt -49.37 -53.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.477 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -157.8 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.406 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.24 -41.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.693 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.406 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.21 -17.71 71.07 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.559 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.8 p -67.12 -34.39 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -61.12 -22.84 65.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.24 -41.34 4.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.601 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 6.3 m-85 -82.91 -73.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.652 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.6 -41.06 2.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.05 -31.74 5.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.569 1.826 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.679 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -63.39 66.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.38 1.05 . . . . 0.0 110.396 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.683 ' O ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -127.18 1.45 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.209 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.6 tp -69.19 147.69 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 46.72 29.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.59 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 31.3 pt -150.5 -56.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.701 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -123.17 -30.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.683 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 43.22 19.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.614 1.196 . . . . 0.0 110.357 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.701 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.63 -53.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' ILE . . . 84.94 57.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 111.101 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.46 ' HG3' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.517 ' O ' ' CD2' ' A' ' 3' ' ' LEU . . . -108.71 -76.94 0.96 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.15 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 2' ' ' GLY . 0.2 OUTLIER 60.67 139.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 0.813 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -146.51 -78.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.457 ' CZ ' ' CB ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER 167.23 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.642 1.213 . . . . 0.0 110.353 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.46 -9.84 38.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.45 -3.32 68.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.616 1.197 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 11.57 38.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -127.01 -44.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.285 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.41 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.6 mt -48.73 -53.79 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . . . -157.61 176.68 12.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.199 . . . . 0.0 109.31 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.406 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.15 -41.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.573 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.406 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -81.16 -17.59 71.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.385 1.053 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.559 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.8 p -66.97 -34.49 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -61.08 -23.1 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.665 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.01 -41.42 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.597 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 3.8 m-85 -82.75 -73.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.652 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.41 -41.23 2.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 -31.59 6.07 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.605 1.845 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.679 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -63.58 66.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.69 ' O ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -127.29 1.88 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -69.68 147.53 50.46 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 47.31 28.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 32.5 pt -149.86 -56.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.711 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -123.07 -29.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.87 19.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.711 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.35 -53.33 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 27' ' ' ILE . . . 85.21 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.38 43.92 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ARG . 2.5 mm? 41.73 90.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 0.784 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.69 73.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -179.63 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.61 1.194 . . . . 0.0 110.374 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.3 -22.43 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.58 1.175 . . . . 0.0 109.212 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 0.0 111.014 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -84.64 56.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.304 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.59 -46.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.507 ' O ' ' CD1' ' A' ' 22' ' ' LEU . 38.0 mt -54.19 -58.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -88.38 -125.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.68 111.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.56 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.568 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 95.93 -3.42 64.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.9 OUTLIER -135.75 -45.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -69.78 -30.51 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -110.89 -35.59 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.618 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 3.5 m-85 -85.66 -74.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.671 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.65 -40.4 2.23 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.707 ' O ' ' N ' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -74.99 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.665 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.6 OUTLIER -30.74 83.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.707 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -29.27 142.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.402 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.575 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER 171.74 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CG ' HG11 ' A' ' 14' ' ' VAL . 6.0 mmt85 -98.13 6.58 47.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.645 1.216 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 pt -121.64 -44.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.701 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -115.14 -39.32 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.575 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.97 14.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.701 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.77 -49.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.541 ' N ' HG22 ' A' ' 21' ' ' VAL . . . 67.38 35.83 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.262 -0.274 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.37 -134.5 6.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' ARG . 3.4 mp -148.6 147.89 29.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 0.747 . . . . 0.0 109.224 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.13 -153.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.495 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -179.29 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.213 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.4 mt -76.25 -54.41 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.35 -94.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.416 ' NH2' ' HE3' ' A' ' 15' ' ' LYS . 1.2 mmp_? -135.43 78.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -127.54 -50.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.385 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' CG2' HD23 ' A' ' 22' ' ' LEU . 36.3 mt -55.84 -59.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.602 1.189 . . . . 0.0 109.357 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.599 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -71.59 -121.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.153 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.24 112.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.709 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.613 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.22 -4.67 58.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.59 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -134.11 -46.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 2.7 ttpt -70.3 -30.61 67.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.401 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.85 -35.96 6.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.81 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 7.6 m-85 -86.25 -72.38 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.72 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 123.29 -36.1 3.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.81 ' CD ' ' HB3' ' A' ' 17' ' ' TYR . 18.2 Cg_endo -74.94 -77.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.756 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.3 OUTLIER -23.09 82.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.36 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.718 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -31.22 145.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' C ' ' N ' ' A' ' 24' ' ' ILE . 1.9 tm? 175.68 112.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 2.6 mmm180 47.36 15.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.581 HG13 ' H ' ' A' ' 25' ' ' ILE . 8.5 pt -125.49 -49.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.72 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.64 -37.88 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.472 ' CA ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.28 18.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.72 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.26 -52.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' CB ' HG13 ' A' ' 21' ' ' VAL . . . 85.37 36.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.371 1.044 . . . . 0.0 109.345 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' HA3' ' CD ' ' A' ' 9' ' ' LYS . . . -107.56 152.22 16.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.596 1.185 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 4' ' ' ARG . 76.0 mt -154.36 79.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.16 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.565 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 33.45 89.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.255 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.65 -36.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.65 -5.89 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.84 60.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -154.83 40.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 110.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' CD ' ' HA3' ' A' ' 2' ' ' GLY . 47.4 tttm -126.12 -47.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.404 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -54.39 -57.85 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.05 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.613 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.17 -125.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.88 112.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.573 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.511 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 97.95 -3.24 60.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.624 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.6 p -134.68 -45.85 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 35.3 mttt -69.31 -30.24 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.626 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.36 -35.83 5.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.511 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 9.8 m-85 -87.94 -75.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.624 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . 122.92 -44.11 1.36 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.742 ' O ' ' N ' ' A' ' 21' ' ' VAL . 18.6 Cg_endo -74.95 -34.02 4.2 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.563 1.822 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.566 ' CG2' ' C ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER 46.69 -76.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.742 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -51.57 -171.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER 98.19 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.06 9.58 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.75 -44.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.25 -24.19 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.12 -51.8 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' GLY . . . 62.77 35.08 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.528 0.902 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.62 -154.46 6.87 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 111.038 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.54 162.29 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 0.726 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -89.28 77.39 7.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 171.22 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.31 -7.98 35.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.08 15.32 81.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.97 47.06 2.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 0.779 . . . . 0.0 110.336 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -131.01 -46.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CG2' ' HG3' ' A' ' 23' ' ' ARG . 36.4 mt -55.35 -59.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.7 -125.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.89 112.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.607 1.192 . . . . 0.0 109.604 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.602 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 98.38 -4.05 59.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.606 ' CG2' ' CD1' ' A' ' 24' ' ' ILE . 1.7 p -133.44 -45.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 0.783 . . . . 0.0 109.364 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 7.2 mptt -70.34 -29.26 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.66 -36.25 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.763 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 4.2 m-85 -85.99 -73.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.721 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 123.41 -36.69 2.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.763 ' CD ' ' HB3' ' A' ' 17' ' ' TYR . 18.6 Cg_endo -75.07 -73.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.462 1.77 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.818 ' O ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -23.51 89.73 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.462 1.101 . . . . 0.0 110.381 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.818 ' O ' ' O ' ' A' ' 20' ' ' THR . 1.5 m -43.16 -161.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.586 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.6 OUTLIER 95.37 127.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.386 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' HG3' ' CG2' ' A' ' 10' ' ' ILE . 3.9 mmt180 48.61 11.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.353 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.652 HG13 ' N ' ' A' ' 25' ' ' ILE . 6.2 pt -133.71 -50.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.708 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -120.56 -26.7 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.12 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.708 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -117.0 -56.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HA ' ' CG1' ' A' ' 21' ' ' VAL . . . 68.4 46.09 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.426 1.079 . . . . 0.0 111.08 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.11 66.35 2.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -112.02 4.66 18.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 85.74 4.77 0.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 46.4 ttt85 177.41 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.191 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.82 -6.0 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.08 -43.19 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.628 1.205 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -84.15 42.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 26.9 tptt -147.8 -46.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.26 -56.93 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.207 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.34 -126.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.38 112.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.543 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 98.09 -4.11 60.59 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.638 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -133.64 -46.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 0.833 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 16.5 tptt -69.73 -30.92 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.88 -35.84 6.05 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.665 ' HB3' ' CD ' ' A' ' 19' ' ' PRO . 4.7 m-85 -87.72 -73.01 0.5 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 111.083 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.656 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 126.46 -40.69 1.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.76 ' O ' ' N ' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.07 -80.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.402 1.738 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.632 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.7 OUTLIER -23.55 80.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 110.442 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.76 ' N ' ' O ' ' A' ' 19' ' ' PRO . 29.3 m -79.83 -127.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.722 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 11.3 tp 56.85 145.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 52.54 12.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.722 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -151.57 -59.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.72 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.22 -28.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.401 1.063 . . . . 0.0 109.244 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 40.77 22.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.72 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -118.79 -55.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.636 1.21 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 65.3 40.62 4.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.68 -65.69 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.574 1.171 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 40.56 47.18 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -160.24 -154.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.426 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 178.67 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 110.32 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.24 -54.96 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.215 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' O ' ' CZ ' ' A' ' 8' ' ' ARG . . . -37.23 -94.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 10.1 mmp_? -135.24 79.99 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 0.722 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.9 tptt -128.87 -45.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.09 -58.04 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.1 -126.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.23 110.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.536 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.577 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.33 -3.66 58.16 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.812 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.89 -42.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.595 0.821 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 5.7 tptm -71.54 -33.14 68.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.183 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.71 -34.48 6.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 2.9 m-85 -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.621 1.201 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.18 -45.19 20.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.812 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.0 Cg_endo -74.93 -33.66 4.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.67 ' O ' ' CG2' ' A' ' 20' ' ' THR . 1.3 t -84.88 54.45 3.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.624 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -50.03 -173.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.581 1.175 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 tp 97.93 -74.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.06 5.21 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.598 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.45 -43.31 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.713 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.49 -24.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER 44.74 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.713 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.79 -51.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.22 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.98 35.37 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.13 72.47 0.04 OUTLIER Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.9 mt -127.42 178.52 6.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.5 -154.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -178.94 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.38 -54.96 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.37 -93.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.574 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 1.3 mpt_? -135.73 81.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -130.04 -44.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.92 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.5 -57.67 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.93 -127.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.608 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.36 110.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 109.584 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.577 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.27 -3.5 58.18 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.815 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.96 -42.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -71.48 -33.13 69.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -34.5 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 4.5 m-85 -85.05 -45.23 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.593 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.18 -45.16 20.71 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.815 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.12 -33.69 4.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 110.958 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.671 ' O ' ' CG2' ' A' ' 20' ' ' THR . 1.3 t -84.92 54.92 3.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.613 ' HA ' HG13 ' A' ' 24' ' ' ILE . 1.1 m -50.39 -172.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.66 1.225 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.639 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 27.5 mt 94.03 -72.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -78.75 4.49 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.613 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.85 -43.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -107.2 -24.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.389 1.056 . . . . 0.0 109.234 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.639 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.65 17.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.389 1.055 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.04 -51.66 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . 63.55 35.44 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.0 -133.87 11.7 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.121 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.6 175.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.2 -153.38 0.12 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.3 ptt180 -179.53 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.6 mt -76.39 -54.65 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.48 -94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.46 82.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 8.4 tptt -130.78 -44.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -53.47 -57.56 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.205 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.73 -126.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.653 1.221 . . . . 0.0 109.374 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.57 110.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.675 1.235 . . . . 0.0 109.655 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.579 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.1 -3.24 58.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.858 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.9 -42.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.386 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 2.1 tppt? -71.27 -32.86 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.43 -34.75 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.662 1.227 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.579 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.46 -44.78 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.581 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -48.81 -45.92 31.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.858 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.12 -40.77 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.553 1.818 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.586 ' O ' ' CG2' ' A' ' 20' ' ' THR . 5.1 t -106.05 61.15 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.494 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.679 ' HA ' HG13 ' A' ' 25' ' ' ILE . 2.4 m -54.83 -155.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER 88.42 130.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.38 13.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.652 HG13 ' N ' ' A' ' 25' ' ' ILE . 7.2 pt -137.82 -50.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.679 HG13 ' HA ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.52 -29.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 41.85 19.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 1.05 . . . . 0.0 110.25 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.677 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.77 -54.77 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 63.66 35.77 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.074 179.917 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.69 -108.46 0.23 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.418 1.074 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.73 -49.14 8.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -53.34 162.9 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.4 ttt180 178.14 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.41 -55.02 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.32 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -135.79 81.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.252 -179.887 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.41 -45.08 1.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.163 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.27 -57.7 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.26 110.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.557 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.578 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.42 -3.51 57.95 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.595 1.185 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.917 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.95 -42.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -71.02 -33.44 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 109.24 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.61 -34.83 6.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.897 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.578 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 3.9 m-85 -84.22 -44.88 13.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -49.5 -50.18 30.87 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.917 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.09 -38.96 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.582 1.833 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.52 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.6 t 28.64 41.32 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -52.3 -173.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.624 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 97.7 -74.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -79.92 7.37 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.594 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.7 pt -132.87 -43.22 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.721 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.52 17.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.721 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.01 -51.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.24 35.18 12.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.161 . . . . 0.0 111.045 -179.973 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.64 65.25 0.18 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.88 -170.22 3.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.597 0.822 . . . . 0.0 109.263 179.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.11 49.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.228 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.1 ttm180 175.52 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.1 mt -76.15 -52.15 10.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -35.78 -93.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.574 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 2.2 mmt85 -137.93 70.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.7 tptt -121.78 -50.18 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.03 -56.46 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.604 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.83 -127.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.191 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.604 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.86 110.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.49 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.561 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 98.87 -3.75 58.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.664 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -135.33 -43.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.412 0.713 . . . . 0.0 109.388 179.852 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -70.71 -34.41 71.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' O ' ' OG1' ' A' ' 20' ' ' THR . 0.0 OUTLIER -107.48 -34.59 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 5.9 m-85 -85.7 -44.7 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.677 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -45.53 -40.0 8.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.419 1.075 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 -67.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.43 1.752 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -22.32 -60.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.675 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -29.56 94.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.5 mt -140.18 124.7 18.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.435 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 5.7 mmm180 49.28 13.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.08 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.517 HD11 ' CG1' ' A' ' 25' ' ' ILE . 1.2 pt -121.64 -54.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.73 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.59 -36.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.936 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' CD ' ' HA ' ' A' ' 23' ' ' ARG . 0.5 OUTLIER 41.92 17.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.73 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.31 -50.81 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' CB ' HG11 ' A' ' 21' ' ' VAL . . . 65.37 36.13 7.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.582 1.176 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.13 -111.93 2.97 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.378 1.049 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -123.47 125.77 45.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.339 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -175.21 -54.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.232 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 9.2 mtm180 -174.0 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.4 mt -75.55 -54.96 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -43.51 -95.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -152.36 74.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.369 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.05 -44.58 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 38.5 mt -53.55 -57.42 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.606 1.192 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.46 110.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.582 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.13 -3.56 58.4 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.436 1.085 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.914 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.99 -42.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 2.5 mttt -70.9 -33.56 70.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.612 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.41 -34.82 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.582 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 3.5 m-85 -84.26 -44.86 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.51 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -49.43 -50.16 30.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.914 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 -36.29 2.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.405 1.74 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.558 ' CG2' ' CD ' ' A' ' 23' ' ' ARG . 1.2 t 32.66 37.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.677 ' C ' ' H ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -38.72 -29.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.652 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -64.71 14.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.677 ' H ' ' C ' ' A' ' 21' ' ' VAL . 7.0 ptm180 -141.21 5.11 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.612 ' CG1' ' HA ' ' A' ' 21' ' ' VAL . 8.2 pt -142.7 -42.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.71 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.42 -27.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.5 19.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.71 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -118.88 -52.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.92 35.84 10.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.878 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.16 -14.99 18.61 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.53 33.74 21.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.668 0.863 . . . . 0.0 109.391 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -107.34 -38.98 5.8 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mtm180 -177.14 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.27 -52.46 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -44.21 -99.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -129.04 85.37 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 5.8 tmtt? -125.72 -48.18 1.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -44.65 -51.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.66 176.22 9.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.614 1.196 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.345 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.05 -43.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.075 . . . . 0.0 109.542 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.345 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.63 -17.01 74.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.812 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.5 p -66.04 -31.8 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -61.8 -24.73 67.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.201 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -39.94 5.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 3.1 m-85 -81.86 -45.96 14.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -45.79 -48.16 13.37 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.812 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.13 -31.97 5.61 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.559 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -91.39 37.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 110.407 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.643 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -28.68 144.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.574 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER 168.1 -74.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -93.32 8.39 40.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.467 ' CD1' ' HA2' ' A' ' 18' ' ' GLY . 1.6 pt -123.91 -46.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.194 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.714 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.45 -39.18 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.175 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.76 14.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.065 . . . . 0.0 110.31 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.714 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.22 -49.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' N ' HG23 ' A' ' 21' ' ' VAL . . . 67.83 42.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.386 1.054 . . . . 0.0 111.087 179.93 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.47 99.9 0.38 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.531 1.144 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.71 -97.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -144.34 53.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 2.7 mmt180 158.72 -22.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 110.183 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.89 -18.9 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.13 -20.22 0.74 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.604 1.19 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.37 9.83 12.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.553 0.796 . . . . 0.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 -43.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.78 -51.99 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.381 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.11 176.74 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.343 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.29 -42.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.343 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.64 -17.03 74.14 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.815 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.5 p -65.99 -31.8 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.527 0.78 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 4.4 ttpp -61.9 -24.66 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.68 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.21 -39.89 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.218 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.526 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 4.6 m-85 -82.11 -45.93 14.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -45.56 -46.69 12.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.815 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.08 -33.45 4.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 111.009 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.687 ' O ' ' CG2' ' A' ' 20' ' ' THR . 1.0 OUTLIER -83.69 53.18 2.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.498 1.123 . . . . 0.0 110.458 179.924 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.626 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -49.61 -173.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.626 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 2.5 tp 97.96 -74.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 5.19 12.85 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.593 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.41 -43.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.716 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.32 -24.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.238 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.23 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.716 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.82 -51.6 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.51 35.39 11.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.366 1.041 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.17 -109.87 0.34 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.576 1.172 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.65 166.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 0.759 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -116.57 -7.25 11.62 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.397 1.06 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER 154.61 18.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -76.05 -19.55 58.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.9 -53.58 0.1 OUTLIER Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.67 98.37 7.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 0.717 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' CD ' ' HA ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -129.55 -43.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -45.63 -51.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.29 176.67 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.216 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.342 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.14 -43.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.342 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.51 -17.1 74.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.809 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.5 p -66.01 -31.78 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 3.1 mttt -61.89 -24.73 67.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.02 -39.92 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 3.1 m-85 -81.89 -46.03 14.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -45.87 -48.05 13.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.809 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.6 Cg_endo -74.93 -32.85 5.15 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.566 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -89.8 37.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.373 1.046 . . . . 0.0 110.455 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.642 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -28.37 143.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 124.441 1.088 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.581 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 2.1 tp 169.96 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.0 mmp_? -93.56 9.11 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CD1' ' HA2' ' A' ' 18' ' ' GLY . 1.7 pt -124.74 -46.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.369 1.043 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.713 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.8 -39.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.24 -179.93 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.581 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.65 14.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.888 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.713 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 2.9 mt -121.5 -49.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.86 39.67 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.399 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.153 . . . . 0.0 110.953 179.955 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.91 -81.67 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -40.19 151.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.383 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 40.05 87.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.327 179.909 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER 166.89 -27.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.273 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.5 mt -73.79 -50.67 19.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.74 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.596 1.185 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -147.03 74.5 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.348 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.18 -43.43 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 42.6 mt -46.8 -52.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -163.63 177.05 9.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.353 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.31 -43.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.353 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.47 -16.82 75.0 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.844 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.3 p -66.39 -31.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 24.2 mttt -62.02 -23.98 66.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.679 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.0 -40.02 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.1 m-30 -81.33 -45.69 15.81 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -47.57 -48.42 22.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.844 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.8 Cg_endo -74.85 -38.73 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.596 ' O ' ' CG2' ' A' ' 20' ' ' THR . 2.8 t -107.71 55.22 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 110.358 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.656 ' HA ' HG13 ' A' ' 25' ' ' ILE . 5.0 m -56.01 -151.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.516 ' C ' ' N ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER 83.52 132.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 47.89 13.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 1.069 . . . . 0.0 110.352 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.657 HG13 ' N ' ' A' ' 25' ' ' ILE . 7.7 pt -138.88 -50.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.684 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.83 -30.37 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.373 1.046 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.12 18.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.684 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.83 -54.14 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.484 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 70.24 37.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.69 172.99 13.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.736 . . . . 0.0 109.345 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.44 79.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -171.51 -37.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.398 1.061 . . . . 0.0 110.203 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.25 -8.69 41.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.41 -55.53 2.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.424 1.077 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -86.76 46.36 1.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.591 0.818 . . . . 0.0 110.249 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -125.51 -43.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -46.51 -51.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.12 176.76 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.353 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.4 -43.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.353 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.45 -16.93 74.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.828 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.6 p -65.92 -31.89 55.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.592 0.819 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -61.82 -24.65 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.671 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.08 -40.04 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 3.1 m-85 -81.69 -45.59 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -46.94 -49.2 18.01 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.451 1.095 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.828 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.03 -35.65 2.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.394 1.734 . . . . 0.0 111.009 179.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.623 ' O ' ' C ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -92.1 30.46 1.43 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.64 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -20.52 95.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.539 ' H ' ' CG1' ' A' ' 24' ' ' ILE . 5.1 tp -138.64 122.41 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.6 mmm180 48.99 15.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.539 ' CG1' ' H ' ' A' ' 22' ' ' LEU . 1.4 pt -122.55 -53.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.729 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.76 -35.54 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 41.22 17.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.625 1.203 . . . . 0.0 110.356 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.729 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.23 -51.58 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' CB ' HG13 ' A' ' 21' ' ' VAL . . . 72.15 47.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.948 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -147.6 170.94 28.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.56 -170.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -87.26 -84.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 178.68 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 110.29 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.29 -54.8 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.19 -93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -136.77 79.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.389 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -127.6 -42.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 -179.87 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.8 mt -46.02 -51.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.4 176.65 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.346 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.06 -43.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.346 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.59 -17.02 74.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.816 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.6 p -65.94 -31.95 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 0.815 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 18.9 tttm -61.7 -24.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.679 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.1 -40.18 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.517 ' CG ' HD12 ' A' ' 24' ' ' ILE . 3.1 m-85 -81.54 -45.49 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -46.55 -49.19 16.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.4 1.062 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.816 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.99 -39.54 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.574 ' O ' ' CG2' ' A' ' 20' ' ' THR . 2.8 t -109.42 52.48 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.472 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.753 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -63.64 2.41 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' A' ' 20' ' ' THR . 2.2 mm? -71.71 151.27 43.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 47.36 22.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.755 HG13 ' N ' ' A' ' 25' ' ' ILE . 10.0 pt -144.18 -55.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.755 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -122.32 -28.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER 42.82 20.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.709 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -120.04 -54.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.204 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 21' ' ' VAL . . . 83.97 44.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 38.24 -109.77 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 5' ' ' ARG . 1.8 mm? 44.38 40.16 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 67.36 -71.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 173.47 -31.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.8 mt -76.2 -54.97 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.6 1.188 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.72 -93.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.485 1.116 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.15 79.15 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 0.704 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -127.34 -42.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.903 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 mt -46.02 -51.52 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.453 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -165.52 176.58 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.349 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.349 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.47 -16.88 74.86 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.836 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.7 p -66.17 -32.05 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 0.709 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 20.0 mmtt -61.29 -25.22 66.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.671 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.27 -40.37 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.413 1.07 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -81.23 -44.96 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -48.23 -52.28 18.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.836 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -75.01 -87.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' ' 19' ' ' PRO . 10.1 t 178.55 -24.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.652 ' HA ' HG13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -50.34 -171.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.362 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.638 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 3.6 tt 98.88 -78.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 9.78 6.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.652 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.92 -44.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.709 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.61 -23.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.51 17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.709 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.92 -51.85 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.22 35.14 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.967 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.79 116.07 0.01 OUTLIER Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.566 1.166 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.87 -78.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 0.822 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -174.03 34.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.222 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.22 -32.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.84 -29.63 70.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.22 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.18 17.19 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 0.808 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -144.43 -67.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -55.52 -59.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' CB ' HG13 ' A' ' 14' ' ' VAL . . . -95.76 -177.1 3.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.359 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -179.25 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.888 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.359 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -69.53 -14.89 70.1 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.762 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 14.6 p -61.76 -33.59 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 34.1 ttmt -62.82 -23.4 67.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.693 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.48 -39.95 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.872 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 2.9 m-85 -82.72 -46.61 12.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -44.43 -46.75 8.63 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.762 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.95 -34.68 3.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.688 ' O ' ' CG2' ' A' ' 20' ' ' THR . 1.0 OUTLIER -80.9 53.65 2.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.362 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.608 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -55.81 -162.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.608 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER 97.01 -82.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.211 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 28.42 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.573 HG13 ' HA ' ' A' ' 21' ' ' VAL . 3.9 pt -150.79 -44.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.9 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.721 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -113.23 -25.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.78 17.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.721 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -119.88 -51.91 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 69.19 39.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.93 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.56 169.83 14.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.97 131.75 20.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 0.819 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 62.65 57.74 1.74 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -177.22 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.206 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.56 -30.13 70.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 39.29 0.03 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.479 1.112 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -145.24 17.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.619 0.835 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.36 -44.1 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.08 -52.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -165.46 176.47 8.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.357 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.72 -43.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.582 -179.92 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.357 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.42 -16.72 75.35 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.545 1.153 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.844 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.8 p -66.15 -32.35 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 27.6 mmtt -61.17 -24.63 66.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.07 -40.27 5.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -80.52 -45.04 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -50.08 -54.48 18.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.844 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.6 Cg_endo -75.05 -41.85 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.559 ' O ' ' C ' ' A' ' 21' ' ' VAL . 5.2 t 24.73 45.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.414 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.636 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -27.86 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER 169.87 -66.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.218 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.53 7.68 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -124.4 -44.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.704 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -114.66 -39.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.29 14.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.704 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.63 -49.0 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.526 ' N ' HG22 ' A' ' 21' ' ' VAL . . . 70.01 43.29 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.172 . . . . 0.0 111.01 179.995 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 3' ' ' LEU . . . 146.48 80.99 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 2' ' ' GLY . 1.0 OUTLIER -159.86 -178.16 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.796 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.8 mmt-85 -82.86 51.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER 176.97 -33.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.325 -179.894 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.38 -54.9 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.98 -93.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -136.94 79.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.3 tptt -127.49 -43.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.9 mt -46.14 -51.49 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.399 1.062 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.56 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 1.353 ' HD1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.623 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 1.353 ' N ' ' HD1' ' A' ' 12' ' ' HIS . . . -80.55 -16.85 74.77 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.839 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.7 p -66.09 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -61.3 -24.92 66.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.67 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.83 -40.18 5.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 109.378 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' GLY . 9.9 m-85 -80.92 -45.06 17.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -49.25 -53.14 20.67 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.839 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.93 -84.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.541 1.811 . . . . 0.0 111.099 179.913 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.694 ' O ' ' O ' ' A' ' 21' ' ' VAL . 10.3 t 36.67 28.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.42 1.075 . . . . 0.0 110.346 179.91 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.694 ' O ' ' O ' ' A' ' 20' ' ' THR . 1.4 m 35.75 -169.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.629 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 0.7 OUTLIER 97.98 -79.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 13.48 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.216 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.662 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pt -134.11 -45.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -111.07 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.07 17.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.1 -51.76 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.487 ' CB ' HG23 ' A' ' 21' ' ' VAL . . . 68.81 45.07 1.03 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.448 1.093 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.546 1.154 . . . . 0.0 110.911 -179.904 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.48 168.24 25.55 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.474 1.108 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.87 -179.7 5.7 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.374 0.69 . . . . 0.0 109.456 179.895 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -68.32 -62.93 1.18 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.8 ptp180 179.29 -34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.35 -55.15 5.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.05 -94.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -135.24 82.53 1.96 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.18 -44.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -53.55 -57.68 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.04 -127.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.09 110.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.645 1.215 . . . . 0.0 109.651 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.664 ' HA2' ' CD2' ' A' ' 17' ' ' TYR . . . 99.57 -3.87 57.89 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.591 1.182 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.837 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -135.31 -42.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.897 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -71.43 -33.03 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.197 -179.897 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.39 -34.99 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.664 ' CD2' ' HA2' ' A' ' 13' ' ' GLY . 3.2 m-30 -84.79 -45.39 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.567 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.0 -46.87 20.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.837 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.02 -31.9 5.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.814 . . . . 0.0 111.09 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.566 ' O ' ' CG2' ' A' ' 20' ' ' THR . 1.0 OUTLIER -91.68 38.73 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.377 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.655 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -29.0 144.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER 168.55 -75.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -92.32 9.04 35.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.472 ' CD1' ' HA2' ' A' ' 18' ' ' GLY . 1.6 pt -124.39 -46.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.712 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.26 -39.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.6 14.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.712 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.73 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 68.13 44.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 179.994 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.53 -38.32 24.92 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.89 140.45 42.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 0.719 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 48.28 -175.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.587 1.179 . . . . 0.0 110.22 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.0 ttt180 -179.04 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.407 1.067 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.0 mt -76.52 -55.02 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.79 -94.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.115 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.55 83.73 2.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.479 0.752 . . . . 0.0 110.323 179.941 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -130.52 -45.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.562 1.164 . . . . 0.0 109.408 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.2 mt -53.15 -57.7 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.81 -127.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.24 110.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.578 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.46 -3.52 57.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.862 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -136.09 -42.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.604 0.826 . . . . 0.0 109.212 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -71.38 -32.78 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.572 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.37 -34.5 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.578 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.78 -44.89 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.579 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -48.65 -46.23 30.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.072 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.862 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.1 Cg_endo -75.03 -39.2 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.574 ' O ' ' CG2' ' A' ' 20' ' ' THR . 4.2 t -107.03 57.0 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.65 ' HA ' HG13 ' A' ' 25' ' ' ILE . 2.8 m -54.34 -155.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.525 ' C ' ' N ' ' A' ' 24' ' ' ILE . 1.7 tt 87.49 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.221 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 48.15 12.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.643 HG13 ' N ' ' A' ' 25' ' ' ILE . 7.3 pt -137.06 -50.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.706 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.53 -25.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.66 25.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.706 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -116.82 -56.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HA ' ' CG1' ' A' ' 21' ' ' VAL . . . 70.94 47.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.376 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 -179.934 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.75 -150.24 9.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.51 -177.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 0.714 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -83.6 73.25 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 176.24 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.937 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.19 -54.93 6.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.04 -92.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.412 1.07 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.6 77.54 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.8 tptt -144.4 -71.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.19 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 mt -61.95 -68.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -89.24 -129.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.603 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 45.8 109.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.561 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.576 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 100.18 -3.96 57.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.831 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -136.19 -42.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 4.5 mtmm -71.49 -32.71 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.76 -34.48 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.576 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 3.6 m-85 -84.87 -44.54 13.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.602 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -48.85 -44.87 31.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.831 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.94 -38.47 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.571 ' O ' ' CG2' ' A' ' 20' ' ' THR . 4.8 t -89.61 59.43 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.719 ' HA ' HG13 ' A' ' 25' ' ' ILE . 2.4 m -53.42 -158.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.534 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.8 tt 91.37 128.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 -179.888 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 2.2 mmm180 47.85 13.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.367 1.042 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.644 HG13 ' N ' ' A' ' 25' ' ' ILE . 7.4 pt -136.5 -49.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.719 HG13 ' HA ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.52 -29.83 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.647 1.217 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 41.91 19.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.601 1.188 . . . . 0.0 110.298 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.676 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.56 -55.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 63.68 36.49 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.63 1.206 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.915 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.18 75.65 0.23 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.557 1.161 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.72 109.03 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 0.766 . . . . 0.0 109.222 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.65 -165.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.384 1.052 . . . . 0.0 110.323 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.495 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.2 ptm180 -175.62 -36.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -75.94 -53.03 9.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -46.37 -101.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.366 1.041 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.05 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -133.31 -50.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.2 mt -52.77 -57.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.226 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.65 -126.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.73 110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.519 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.56 ' HA2' ' CG ' ' A' ' 17' ' ' TYR . . . 99.09 -3.14 58.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.799 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -135.3 -42.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 0.791 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -70.92 -33.69 70.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -34.76 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' CG ' ' HA2' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.8 -44.85 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.925 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.578 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -46.99 -46.14 19.86 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.799 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 -38.85 1.39 Allowed 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.428 1.752 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.701 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.8 OUTLIER -99.17 69.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.636 ' HA ' HG13 ' A' ' 25' ' ' ILE . 0.7 OUTLIER -25.91 102.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.542 ' H ' ' CG1' ' A' ' 24' ' ' ILE . 1.8 tm? -144.49 120.27 10.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.61 1.194 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 46.58 17.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 110.36 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.584 HG13 ' H ' ' A' ' 25' ' ' ILE . 2.0 pt -125.09 -51.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.724 ' O ' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.15 -37.53 2.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' N ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.03 16.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.724 ' CD1' ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.91 -51.67 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.55 ' CB ' HG11 ' A' ' 21' ' ' VAL . . . 83.77 61.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.581 1.176 . . . . 0.0 110.956 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.426 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.3 mtp85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.09 -20.65 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.56 -36.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HG2' ' NE2' ' A' ' 12' ' ' HIS . 5.7 mtt85 -84.52 67.12 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HD2' ' CG ' ' A' ' 5' ' ' ARG . 16.0 tttm -145.31 -49.07 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -54.36 -58.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.08 -125.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.616 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.25 112.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.928 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 97.26 -2.53 61.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.568 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.2 p -134.75 -45.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 0.734 . . . . 0.0 109.227 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 5.3 mttt -71.3 -29.79 65.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.636 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.89 -37.1 5.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.928 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.7 m-30 -84.72 -71.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.568 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.684 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 17' ' ' TYR . 1.1 tt 98.65 -79.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -80.78 9.28 6.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.68 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.44 -44.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.45 -24.11 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.98 -52.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.327 1.017 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.684 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.79 35.24 13.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.364 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.45 -32.06 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.3 36.9 0.07 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.406 1.066 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -147.38 25.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.774 . . . . 0.0 110.221 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -133.07 -48.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.0 mt -55.79 -59.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.4 -126.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.332 1.02 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.27 112.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.992 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.13 -5.53 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.54 1.15 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.598 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -131.47 -45.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.62 0.835 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 13.2 tttp -69.35 -29.36 67.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.198 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.5 -35.72 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.191 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.992 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -86.65 -75.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.598 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.616 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 97.86 -76.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.04 8.1 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.2 pt -132.36 -43.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.835 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -109.32 -24.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.225 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.71 -51.53 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 64.04 35.54 10.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.27 -17.55 64.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -35.94 3.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.386 1.054 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.92 27.05 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.417 0.716 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.15 -49.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.389 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.62 -59.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.54 -126.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 109.226 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.77 111.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.369 1.043 . . . . 0.0 109.638 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.59 -4.6 59.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.622 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -133.21 -45.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 8.8 tptt -69.17 -30.14 68.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.62 -35.78 5.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.4 m-30 -88.73 -75.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.622 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.91 0 O-C-N 124.521 1.138 . . . . 0.0 111.085 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.619 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.06 -78.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.92 8.56 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.67 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -131.24 -44.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.836 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.22 -23.64 4.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.62 17.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.83 -52.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.746 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.32 35.46 12.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 17.8 ttm105 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.47 -55.51 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.675 1.235 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.08 -120.12 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.417 1.073 . . . . 0.0 110.999 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -84.84 115.58 22.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 0.713 . . . . 0.0 110.362 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' CD ' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.5 -54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 ' CD ' ' A' ' 9' ' ' LYS . 46.6 mt -48.0 -55.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -84.91 -127.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.611 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.61 112.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.551 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.995 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.79 -6.29 60.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.419 1.074 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.608 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -130.97 -45.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 2.4 tptt -68.95 -29.34 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.635 1.209 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.34 -35.96 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.995 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.9 m-85 -86.48 -75.87 0.37 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.608 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.762 ' O ' HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER 96.71 -77.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -79.3 7.49 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.676 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -130.48 -44.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.831 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.66 -24.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.7 17.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.69 -51.98 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.576 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 61.62 35.21 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.914 0 O-C-N 124.504 1.127 . . . . 0.0 111.063 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.14 -9.99 20.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.82 -56.7 0.75 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -83.08 50.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -117.21 -48.13 2.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.624 1.203 . . . . 0.0 109.22 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -52.8 -55.28 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.602 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.25 -127.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.372 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.608 ' CE1' ' HZ1' ' A' ' 16' ' ' LYS . 0.1 OUTLIER 47.51 111.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.711 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.001 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.66 -5.34 60.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.612 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -131.16 -45.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.469 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 20.4 tttm -68.68 -29.64 68.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.608 ' HZ1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -111.62 -35.52 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 1.001 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 8.0 m-85 -86.46 -76.17 0.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.088 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.803 HG21 ' CA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.568 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER 157.97 -77.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.104 . . . . 0.0 109.388 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 3.05 48.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -118.24 -45.76 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.34 1.025 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.29 -31.73 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.38 16.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -121.29 -50.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.803 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 70.39 45.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.571 1.169 . . . . 0.0 111.045 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.92 -6.39 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.67 11.37 53.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 2.3 mmp_? -130.61 31.47 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.502 0.766 . . . . 0.0 110.266 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 -50.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.44 -58.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.03 -126.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.13 112.4 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.99 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.74 -6.43 60.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -130.96 -45.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.204 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 4.1 tptt -69.18 -29.56 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -110.94 -35.7 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.99 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -86.92 -75.76 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.604 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.666 ' CG2' ' N ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.666 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 64.9 mt 98.81 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -106.38 -0.61 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.483 HG13 ' HA ' ' A' ' 21' ' ' VAL . 4.9 pt -125.89 -40.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.837 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.78 -25.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 42.89 20.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.07 -54.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 60.67 34.22 20.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.08 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.608 0.242 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.93 -5.55 31.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.92 13.27 46.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -152.32 50.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -126.85 -44.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt -51.02 -54.67 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.844 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -160.03 173.29 16.07 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.24 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -165.07 -60.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.24 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -70.13 -13.34 69.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 18' ' ' GLY . 3.7 p -61.85 -36.75 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -20.32 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.727 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.11 -41.98 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 1.154 ' CZ ' HD22 ' A' ' 22' ' ' LEU . 2.9 m-85 -83.82 -72.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.914 ' O ' HG23 ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.528 0.889 0 O-C-N 124.399 1.062 . . . . 0.0 111.093 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.99 HG21 ' HB2' ' A' ' 28' ' ' ALA . 2.9 m . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.154 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 1.3 mp 69.04 138.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.612 1.195 . . . . 0.0 109.237 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 50.69 8.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.227 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 ' HA ' ' A' ' 21' ' ' VAL . 6.9 pt -140.39 -51.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.937 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.75 -29.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 109.196 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.07 19.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.937 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -121.99 -54.97 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.99 ' HB2' HG21 ' A' ' 21' ' ' VAL . . . 65.11 37.24 6.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.565 1.166 . . . . 0.0 111.072 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.02 -54.38 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.24 -94.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -154.85 73.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 -43.33 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.677 ' O ' HD13 ' A' ' 24' ' ' ILE . 42.3 mt -46.84 -52.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.981 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . . . -163.29 178.44 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.029 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.46 -42.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.624 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.029 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.56 -16.8 72.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.373 1.045 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.618 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.9 p -66.94 -33.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.702 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.88 -41.45 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.59 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 6.6 m-85 -83.42 -74.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.618 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.915 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.725 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 154.59 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -86.73 8.26 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.981 ' CD1' ' HB2' ' A' ' 11' ' ' ALA . 1.2 pt -121.72 -49.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.596 1.185 . . . . 0.0 109.431 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.851 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.97 -34.51 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.01 15.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 110.303 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.851 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.2 mt -121.31 -51.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.609 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 65.27 40.06 5.06 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 110.942 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB2' ' CG ' ' A' ' 9' ' ' LYS . 5.1 mt -76.87 -11.42 59.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 109.197 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.63 -52.74 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.57 33.71 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.303 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -127.59 -45.0 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -46.01 -52.24 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -164.96 174.0 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.077 ' CE1' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -147.37 -42.41 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.034 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.99 -15.47 74.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 18' ' ' GLY . 6.3 p -66.76 -34.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -21.3 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.682 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.66 -41.49 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 5.8 m-85 -81.39 -71.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.545 ' C ' HG23 ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.078 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.693 HG11 ' CA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.077 HD11 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -177.87 113.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 47.28 15.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.587 HG13 ' H ' ' A' ' 25' ' ' ILE . 7.2 pt -125.7 -49.19 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.865 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.04 -38.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.671 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.63 18.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.29 -51.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 86.0 63.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.33 -6.68 44.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 5.14 39.62 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.97 62.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 0.74 . . . . 0.0 110.241 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -124.14 -43.7 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mt -47.12 -51.52 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.47 176.88 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.039 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.7 -43.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.683 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.039 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.06 -15.82 76.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.636 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.8 p -67.16 -34.08 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -60.41 -22.43 63.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.17 -41.57 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 14.2 m-85 -83.25 -73.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.418 1.074 . . . . 0.0 111.001 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.636 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 10.1 tp 98.1 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 5.4 mmm180 -80.56 8.88 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.678 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.8 pt -131.71 -44.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.11 -24.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.85 -51.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.703 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.1 35.71 12.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.78 -22.74 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.08 -129.24 2.48 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.539 1.149 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.76 112.13 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.386 0.697 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.1 -49.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.794 HG22 HG22 ' A' ' 24' ' ' ILE . 39.9 mt -50.85 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 24' ' ' ILE . . . -153.81 174.96 13.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.997 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -155.33 -39.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.698 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.997 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.81 -18.52 70.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.9 p -65.79 -34.8 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.94 -22.36 65.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -41.11 4.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.594 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 3.1 m-85 -82.78 -75.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.668 ' O ' HG13 ' A' ' 21' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.725 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.631 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.12 -77.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -80.2 8.55 7.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.037 HG21 ' HB2' ' A' ' 11' ' ' ALA . 2.0 pt -131.55 -43.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.834 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.3 -24.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.834 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.99 -51.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.725 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 62.96 36.03 12.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.948 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.85 -21.37 57.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.54 -62.36 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.71 87.29 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -129.61 -43.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.66 -52.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.8 176.92 8.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.041 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.65 -43.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.616 1.197 . . . . 0.0 109.541 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.041 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.97 -15.86 76.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.634 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.9 p -66.93 -34.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -22.18 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.23 -41.65 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 15.6 m-85 -83.39 -73.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.634 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.43 1.082 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.62 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 165.17 -69.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -98.13 8.04 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.063 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 pt -124.41 -45.49 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.839 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.41 -38.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.07 14.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.593 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 69.94 40.86 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.665 1.228 . . . . 0.0 110.937 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -14.85 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.0 -49.42 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 61.0 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -52.58 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.391 1.057 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.959 ' O ' HD12 ' A' ' 22' ' ' LEU . 44.0 mt -50.73 -56.01 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.813 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . . . -154.51 171.52 19.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.99 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -158.02 -39.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.117 . . . . 0.0 109.698 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.99 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.26 -18.81 70.75 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.557 1.161 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.787 HG21 HG12 ' A' ' 24' ' ' ILE . 2.4 p -64.91 -34.91 73.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.401 0.707 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -22.67 66.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.387 1.054 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.694 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.23 -40.76 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 4.1 m-85 -82.22 -74.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.532 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.142 . . . . 0.0 110.99 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.957 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER 152.3 -71.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.8 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.9 mmm180 -89.17 3.39 52.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.787 HG12 HG21 ' A' ' 14' ' ' VAL . 1.2 pt -121.2 -49.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.863 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.53 -33.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.03 17.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.55 -53.08 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 61.62 33.96 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.43 1.081 . . . . 0.0 111.071 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.07 -9.98 45.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.29 -52.27 3.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.403 1.065 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 59.85 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.267 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -126.17 -43.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.3 mt -49.37 -53.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.008 ' HB2' HD12 ' A' ' 24' ' ' ILE . . . -157.8 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.016 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.24 -41.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.693 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.016 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.21 -17.71 71.07 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.957 HG21 HG13 ' A' ' 21' ' ' VAL . 1.8 p -67.12 -34.39 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -61.12 -22.84 65.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.24 -41.34 4.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.607 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 6.3 m-85 -82.91 -73.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.005 HG12 ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.781 ' O ' HG12 ' A' ' 24' ' ' ILE . 18.6 tp -69.19 147.69 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 46.72 29.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.008 HD12 ' HB2' ' A' ' 11' ' ' ALA . 31.3 pt -150.5 -56.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.005 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -123.17 -30.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.686 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 43.22 19.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.614 1.196 . . . . 0.0 110.357 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.63 -53.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 84.94 57.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 111.101 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.46 -9.84 38.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.45 -3.32 68.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.616 1.197 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 11.57 38.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -127.01 -44.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.285 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.6 mt -48.73 -53.79 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' A' ' 24' ' ' ILE . . . -157.61 176.68 12.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.199 . . . . 0.0 109.31 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.012 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.15 -41.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.573 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.012 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.16 -17.59 71.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.385 1.053 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.97 HG21 HG13 ' A' ' 21' ' ' VAL . 1.8 p -66.97 -34.49 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -61.08 -23.1 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.665 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.01 -41.42 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.603 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 3.8 m-85 -82.75 -73.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.602 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.004 HG12 ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.76 ' O ' HG12 ' A' ' 24' ' ' ILE . 7.5 mt -69.68 147.53 50.46 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 47.31 28.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.05 HD12 ' HB2' ' A' ' 11' ' ' ALA . 32.5 pt -149.86 -56.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.004 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -123.07 -29.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.87 19.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.859 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.35 -53.33 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 85.21 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.3 -22.43 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.58 1.175 . . . . 0.0 109.212 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 0.0 111.014 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HG2' ' NE2' ' A' ' 12' ' ' HIS . 16.6 mtm180 -84.64 56.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.304 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.59 -46.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 22' ' ' LEU . 38.0 mt -54.19 -58.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -88.38 -125.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.68 111.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.56 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 95.93 -3.42 64.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.782 HG21 ' H ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -135.75 -45.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -69.78 -30.51 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HZ1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -110.89 -35.59 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.5 m-85 -85.66 -74.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.597 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.079 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.686 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER 171.74 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' HG21 ' A' ' 14' ' ' VAL . 6.0 mmt85 -98.13 6.58 47.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.645 1.216 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.529 HG12 ' CG2' ' A' ' 14' ' ' VAL . 2.4 pt -121.64 -44.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.855 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -115.14 -39.32 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.575 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.97 14.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.77 -49.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.627 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.38 35.83 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.4 mt -76.25 -54.41 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.35 -94.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' NH2' ' HE3' ' A' ' 15' ' ' LYS . 1.2 mmp_? -135.43 78.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -127.54 -50.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.385 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.6 HG22 HD21 ' A' ' 22' ' ' LEU . 36.3 mt -55.84 -59.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.602 1.189 . . . . 0.0 109.357 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.599 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -71.59 -121.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.153 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.24 112.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.709 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.958 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.22 -4.67 58.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.575 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -134.11 -46.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 2.7 ttpt -70.3 -30.61 67.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.401 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.85 -35.96 6.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.958 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 7.6 m-85 -86.25 -72.38 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.575 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.728 HG23 ' H ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.9 tm? 175.68 112.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' LEU . 2.6 mmm180 47.36 15.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.586 HG13 ' H ' ' A' ' 25' ' ' ILE . 8.5 pt -125.49 -49.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.86 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.64 -37.88 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.728 ' H ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.28 18.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.26 -52.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 85.37 36.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.371 1.044 . . . . 0.0 109.345 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.65 -5.89 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.84 60.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -154.83 40.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 110.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -126.12 -47.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.404 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -54.39 -57.85 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.05 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.613 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.17 -125.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.88 112.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.573 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.947 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 97.95 -3.24 60.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.602 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.6 p -134.68 -45.85 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 35.3 mttt -69.31 -30.24 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.626 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.36 -35.83 5.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.947 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 9.8 m-85 -87.94 -75.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.602 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.677 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER 98.19 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.06 9.58 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.664 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.75 -44.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.825 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.25 -24.19 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.12 -51.8 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.677 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.77 35.08 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.528 0.902 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.31 -7.98 35.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.08 15.32 81.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.97 47.06 2.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 0.779 . . . . 0.0 110.336 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -131.01 -46.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 22' ' ' LEU . 36.4 mt -55.35 -59.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.7 -125.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.89 112.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.607 1.192 . . . . 0.0 109.604 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.976 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.38 -4.05 59.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.033 ' CG2' HD13 ' A' ' 24' ' ' ILE . 1.7 p -133.44 -45.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 0.783 . . . . 0.0 109.364 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 7.2 mptt -70.34 -29.26 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.66 -36.25 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.976 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 4.2 m-85 -85.99 -73.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.588 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.85 HG11 ' HA ' ' A' ' 28' ' ' ALA . 1.5 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.648 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER 95.37 127.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.386 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 10' ' ' ILE . 3.9 mmt180 48.61 11.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.353 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.033 HD13 ' CG2' ' A' ' 14' ' ' VAL . 6.2 pt -133.71 -50.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.833 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -120.56 -26.7 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.12 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -117.0 -56.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.85 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 68.4 46.09 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.426 1.079 . . . . 0.0 111.08 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 46.4 ttt85 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.82 -6.0 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.08 -43.19 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.628 1.205 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -84.15 42.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 26.9 tptt -147.8 -46.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.26 -56.93 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.207 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.34 -126.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.38 112.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.958 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.09 -4.11 60.59 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.964 HG21 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -133.64 -46.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 0.833 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 16.5 tptt -69.73 -30.92 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.88 -35.84 6.05 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.958 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 4.7 m-85 -87.72 -73.01 0.5 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 111.083 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.621 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 25' ' ' ILE . 29.3 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.763 ' O ' HG12 ' A' ' 24' ' ' ILE . 11.3 tp 56.85 145.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 52.54 12.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.964 HD12 HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -151.57 -59.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.22 -28.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.401 1.063 . . . . 0.0 109.244 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.77 22.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -118.79 -55.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.636 1.21 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.803 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . 65.3 40.62 4.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.505 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.24 -54.96 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.215 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.485 ' O ' ' CZ ' ' A' ' 8' ' ' ARG . . . -37.23 -94.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.485 ' CZ ' ' O ' ' A' ' 7' ' ' GLY . 10.1 mmp_? -135.24 79.99 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 0.722 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.9 tptt -128.87 -45.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.09 -58.04 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.1 -126.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.23 110.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.536 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.95 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.33 -3.66 58.16 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.468 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.89 -42.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.595 0.821 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 5.7 tptm -71.54 -33.14 68.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.183 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.71 -34.48 6.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.95 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.621 1.201 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.785 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 tp 97.93 -74.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.06 5.21 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.45 -43.31 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.49 -24.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER 44.74 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.79 -51.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.22 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.785 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.98 35.37 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.38 -54.96 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.37 -93.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -135.73 81.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -130.04 -44.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.92 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.5 -57.67 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.93 -127.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.608 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.36 110.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 109.584 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.95 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.27 -3.5 58.18 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.467 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.96 -42.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -33.13 69.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -34.5 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.95 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 4.5 m-85 -85.05 -45.23 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.634 HG23 HD23 ' A' ' 22' ' ' LEU . 1.1 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.634 HD23 HG23 ' A' ' 21' ' ' VAL . 27.5 mt 94.03 -72.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -78.75 4.49 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.633 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.85 -43.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -107.2 -24.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.389 1.056 . . . . 0.0 109.234 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.65 17.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.389 1.055 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.04 -51.66 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.621 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.55 35.44 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.3 ptt180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.6 mt -76.39 -54.65 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.48 -94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.446 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.46 82.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 8.4 tptt -130.78 -44.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -53.47 -57.56 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.205 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.73 -126.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.653 1.221 . . . . 0.0 109.374 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.57 110.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.675 1.235 . . . . 0.0 109.655 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.954 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.1 -3.24 58.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.9 -42.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.386 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 2.1 tppt? -71.27 -32.86 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.43 -34.75 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.662 1.227 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.954 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.46 -44.78 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 25' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.928 HG11 ' HA ' ' A' ' 28' ' ' ALA . 2.4 m . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.654 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER 88.42 130.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.38 13.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.761 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.2 pt -137.82 -50.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.93 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.52 -29.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 41.85 19.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 1.05 . . . . 0.0 110.25 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.93 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.77 -54.77 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.928 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 63.66 35.77 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.074 179.917 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.4 ttt180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.41 -55.02 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.32 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -135.79 81.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.252 -179.887 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.41 -45.08 1.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.163 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.27 -57.7 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.26 110.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.557 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.936 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.42 -3.51 57.95 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.595 1.185 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.461 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.95 -42.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -33.44 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.61 -34.83 6.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.897 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.936 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.9 m-85 -84.22 -44.88 13.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 97.7 -74.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -79.92 7.37 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.607 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.7 pt -132.87 -43.22 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.811 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.601 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.52 17.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.811 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.01 -51.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.24 35.18 12.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.161 . . . . 0.0 111.045 -179.973 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.1 ttm180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.1 mt -76.15 -52.15 10.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -35.78 -93.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -137.93 70.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.7 tptt -121.78 -50.18 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.03 -56.46 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.604 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.83 -127.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.191 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.604 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.86 110.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.49 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.949 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.87 -3.75 58.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.518 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -135.33 -43.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.412 0.713 . . . . 0.0 109.388 179.852 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -34.41 71.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.48 -34.59 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.949 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 5.9 m-85 -85.7 -44.7 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.765 ' O ' HG13 ' A' ' 21' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.419 1.075 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.658 ' O ' HG12 ' A' ' 24' ' ' ILE . 1.5 mt -140.18 124.7 18.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 5.7 mmm180 49.28 13.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.08 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 22' ' ' LEU . 1.2 pt -121.64 -54.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.874 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.59 -36.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.936 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 41.92 17.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.874 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.31 -50.81 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 65.37 36.13 7.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.582 1.176 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 9.2 mtm180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.4 mt -75.55 -54.96 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -43.51 -95.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.577 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 7.8 ptt180 -152.36 74.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.05 -44.58 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 38.5 mt -53.55 -57.42 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.606 1.192 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.46 110.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.938 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.13 -3.56 58.4 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.436 1.085 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.459 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.99 -42.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -70.9 -33.56 70.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.612 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.41 -34.82 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.938 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.5 m-85 -84.26 -44.86 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.776 HG23 ' HB ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.63 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -64.71 14.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.682 ' H ' ' C ' ' A' ' 21' ' ' VAL . 7.0 ptm180 -141.21 5.11 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.612 ' CG1' ' HA ' ' A' ' 21' ' ' VAL . 8.2 pt -142.7 -42.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.826 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.42 -27.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.63 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.5 19.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -118.88 -52.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.92 35.84 10.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.878 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.513 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mtm180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.27 -52.46 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -44.21 -99.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -129.04 85.37 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 5.8 tmtt? -125.72 -48.18 1.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -44.65 -51.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.66 176.22 9.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.614 1.196 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.024 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.05 -43.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.075 . . . . 0.0 109.542 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.024 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.63 -17.01 74.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.597 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p -66.04 -31.8 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -24.73 67.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.201 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -39.94 5.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.749 ' O ' HD11 ' A' ' 24' ' ' ILE . 3.1 m-85 -81.86 -45.96 14.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.078 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.643 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.574 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER 168.1 -74.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' HD23 ' A' ' 22' ' ' LEU . 1.3 ptp180 -93.32 8.39 40.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.749 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.6 pt -123.91 -46.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.194 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.45 -39.18 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.175 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.76 14.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.065 . . . . 0.0 110.31 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.22 -49.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.61 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.83 42.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.386 1.054 . . . . 0.0 111.087 179.93 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.89 -18.9 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.546 ' HA2' HD12 ' A' ' 10' ' ' ILE . . . 153.13 -20.22 0.74 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.604 1.19 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.37 9.83 12.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.553 0.796 . . . . 0.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 -43.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.546 HD12 ' HA2' ' A' ' 7' ' ' GLY . 44.1 mt -45.78 -51.99 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.381 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.11 176.74 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.025 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.29 -42.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.025 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.64 -17.03 74.14 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p -65.99 -31.8 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.527 0.78 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -61.9 -24.66 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.68 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.21 -39.89 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.218 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.59 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 4.6 m-85 -82.11 -45.93 14.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.626 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 2.5 tp 97.96 -74.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 5.19 12.85 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.41 -43.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.82 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.32 -24.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.238 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.23 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.82 -51.6 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.51 35.39 11.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.366 1.041 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -76.05 -19.55 58.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.9 -53.58 0.1 OUTLIER Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.67 98.37 7.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 0.717 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.55 -43.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -45.63 -51.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.29 176.67 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.216 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.026 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.14 -43.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.026 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.51 -17.1 74.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p -66.01 -31.78 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -61.89 -24.73 67.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.02 -39.92 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.77 ' O ' HD11 ' A' ' 24' ' ' ILE . 3.1 m-85 -81.89 -46.03 14.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.642 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.581 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 2.1 tp 169.96 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.0 mmp_? -93.56 9.11 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.77 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.7 pt -124.74 -46.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.369 1.043 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.8 -39.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.24 -179.93 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.581 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.65 14.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.888 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 25' ' ' ILE . 2.9 mt -121.5 -49.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.86 39.67 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.399 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.153 . . . . 0.0 110.953 179.955 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.5 mt -73.79 -50.67 19.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.74 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.596 1.185 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -147.03 74.5 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.348 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.18 -43.43 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 42.6 mt -46.8 -52.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.63 177.05 9.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.037 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.31 -43.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.037 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.47 -16.82 75.0 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.3 p -66.39 -31.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -62.02 -23.98 66.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.679 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.0 -40.02 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.604 ' HB3' HD12 ' A' ' 24' ' ' ILE . 3.1 m-30 -81.33 -45.69 15.81 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.914 HG11 ' HA ' ' A' ' 28' ' ' ALA . 5.0 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.588 ' HG ' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER 83.52 132.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 47.89 13.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 1.069 . . . . 0.0 110.352 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.7 pt -138.88 -50.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.928 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.83 -30.37 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.373 1.046 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.12 18.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.928 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.83 -54.14 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.914 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 70.24 37.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.25 -8.69 41.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.41 -55.53 2.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.424 1.077 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -86.76 46.36 1.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.591 0.818 . . . . 0.0 110.249 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -125.51 -43.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -46.51 -51.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.12 176.76 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.034 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.4 -43.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.034 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.45 -16.93 74.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.6 p -65.92 -31.89 55.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.592 0.819 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -24.65 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.671 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.08 -40.04 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.865 ' HB3' HD13 ' A' ' 24' ' ' ILE . 3.1 m-85 -81.69 -45.59 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.924 0 O-C-N 124.451 1.095 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.663 ' O ' HG12 ' A' ' 24' ' ' ILE . 5.1 tp -138.64 122.41 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.6 mmm180 48.99 15.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.865 HD13 ' HB3' ' A' ' 17' ' ' TYR . 1.4 pt -122.55 -53.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.878 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.76 -35.54 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.64 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 41.22 17.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.625 1.203 . . . . 0.0 110.356 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.878 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.23 -51.58 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 72.15 47.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.948 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.29 -54.8 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.19 -93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -136.77 79.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.389 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -127.6 -42.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 -179.87 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.8 mt -46.02 -51.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.4 176.65 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.035 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.06 -43.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.035 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.59 -17.02 74.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.6 p -65.94 -31.95 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 0.815 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -61.7 -24.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.679 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.1 -40.18 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 3.1 m-85 -81.54 -45.49 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.4 1.062 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.948 HG12 ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 24' ' ' ILE . 2.2 mm? -71.71 151.27 43.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 47.36 22.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.901 HD11 ' HA ' ' A' ' 21' ' ' VAL . 10.0 pt -144.18 -55.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.948 ' CD1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -122.32 -28.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER 42.82 20.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.859 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -120.04 -54.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.204 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.72 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 83.97 44.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.504 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.8 mt -76.2 -54.97 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.6 1.188 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.72 -93.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.485 1.116 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.15 79.15 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 0.704 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -127.34 -42.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.903 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 mt -46.02 -51.52 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.52 176.58 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.031 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.031 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.47 -16.88 74.86 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.7 p -66.17 -32.05 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 0.709 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -61.29 -25.22 66.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.913 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.83 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -107.27 -40.37 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.413 1.07 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 13.1 m-85 -81.23 -44.96 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.71 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 16' ' ' LYS . 3.6 tt 98.88 -78.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 9.78 6.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.662 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.92 -44.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.826 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.61 -23.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.51 17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.92 -51.85 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.71 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.22 35.14 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.967 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.84 -29.63 70.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.22 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.18 17.19 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 0.808 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -144.43 -67.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -55.52 -59.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.485 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -95.76 -177.1 3.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.235 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -179.25 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.888 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.235 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -69.53 -14.89 70.1 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 18' ' ' GLY . 14.6 p -61.76 -33.59 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.82 -23.4 67.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.693 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.48 -39.95 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.872 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.586 ' O ' HD11 ' A' ' 24' ' ' ILE . 2.9 m-85 -82.72 -46.61 12.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.746 HG23 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.746 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER 97.01 -82.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.211 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HG2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.17 28.42 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.596 HG13 ' HA ' ' A' ' 21' ' ' VAL . 3.9 pt -150.79 -44.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.9 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.841 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -113.23 -25.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CD ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.78 17.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -119.88 -51.91 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.69 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 69.19 39.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.93 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.56 -30.13 70.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 39.29 0.03 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.479 1.112 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -145.24 17.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.619 0.835 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.36 -44.1 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.08 -52.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.46 176.47 8.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.04 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.72 -43.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.582 -179.92 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.04 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.42 -16.72 75.35 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.545 1.153 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.594 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.8 p -66.15 -32.35 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -61.17 -24.63 66.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.07 -40.27 5.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.581 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 6.1 m-85 -80.52 -45.04 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.636 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.933 HD13 ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER 169.87 -66.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.218 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.933 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.53 7.68 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -124.4 -44.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -114.66 -39.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.29 14.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.63 -49.0 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 70.01 43.29 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.172 . . . . 0.0 111.01 179.995 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.38 -54.9 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.98 -93.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -136.94 79.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.3 tptt -127.49 -43.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.9 mt -46.14 -51.49 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.399 1.062 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.56 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 1.03 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.623 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 1.03 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.55 -16.85 74.77 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.7 p -66.09 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -24.92 66.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.67 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.83 -40.18 5.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 109.378 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 9.9 m-85 -80.92 -45.06 17.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.838 HG23 ' N ' ' A' ' 22' ' ' LEU . 1.4 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.838 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER 97.98 -79.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 13.48 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.216 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.666 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pt -134.11 -45.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.841 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -111.07 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.07 17.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.1 -51.76 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.664 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 68.81 45.07 1.03 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.448 1.093 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.546 1.154 . . . . 0.0 110.911 -179.904 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.508 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.8 ptp180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.35 -55.15 5.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.05 -94.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 82.53 1.96 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.18 -44.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -53.55 -57.68 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.04 -127.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.09 110.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.645 1.215 . . . . 0.0 109.651 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.935 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.57 -3.87 57.89 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.591 1.182 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -135.31 -42.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.897 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -33.03 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.197 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.39 -34.99 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.935 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.2 m-30 -84.79 -45.39 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.656 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER 168.55 -75.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' CD2' ' A' ' 22' ' ' LEU . 6.5 mmt180 -92.32 9.04 35.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.753 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.6 pt -124.39 -46.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.838 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.26 -39.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.6 14.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.73 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.62 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 68.13 44.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 179.994 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.0 ttt180 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.0 mt -76.52 -55.02 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.79 -94.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.115 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.55 83.73 2.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.479 0.752 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -130.52 -45.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.562 1.164 . . . . 0.0 109.408 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.2 mt -53.15 -57.7 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.81 -127.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.24 110.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.46 -3.52 57.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.45 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -136.09 -42.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.604 0.826 . . . . 0.0 109.212 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -32.78 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.572 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.37 -34.5 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.78 -44.89 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.464 ' HA2' ' CD1' ' A' ' 25' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.072 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.776 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.8 m . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.615 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.7 tt 87.49 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.221 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.547 ' N ' HD23 ' A' ' 22' ' ' LEU . 10.3 mmm-85 48.15 12.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.776 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.3 pt -137.06 -50.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.832 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.53 -25.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.66 25.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -116.82 -56.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.748 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 70.94 47.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.376 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 -179.934 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.509 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.632 0.253 . . . . 0.0 110.402 . . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.19 -54.93 6.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.04 -92.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.412 1.07 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.6 77.54 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.8 tptt -144.4 -71.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.19 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 mt -61.95 -68.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.603 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -89.24 -129.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.603 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 45.8 109.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.561 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 100.18 -3.96 57.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -136.19 -42.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -71.49 -32.71 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.76 -34.48 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.6 m-85 -84.87 -44.54 13.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.944 HG11 ' HA ' ' A' ' 28' ' ' ALA . 2.4 m . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.62 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.8 tt 91.37 128.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 -179.888 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 2.2 mmm180 47.85 13.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.367 1.042 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.709 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.4 pt -136.5 -49.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.934 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.52 -29.83 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.647 1.217 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 41.91 19.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.601 1.188 . . . . 0.0 110.298 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.934 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.56 -55.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.944 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 63.68 36.49 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.63 1.206 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.915 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.498 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.2 ptm180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -75.94 -53.03 9.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -46.37 -101.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.366 1.041 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.05 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -133.31 -50.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.2 mt -52.77 -57.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.226 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.65 -126.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.73 110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.519 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.09 -3.14 58.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.483 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -135.3 -42.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 0.791 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -70.92 -33.69 70.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -34.76 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.8 -44.85 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.925 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.917 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 26' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.657 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.8 tm? -144.49 120.27 10.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.61 1.194 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 46.58 17.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 110.36 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.595 HG13 ' H ' ' A' ' 25' ' ' ILE . 2.0 pt -125.09 -51.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.866 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.15 -37.53 2.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.733 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.03 16.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.866 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.91 -51.67 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 83.77 61.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.581 1.176 . . . . 0.0 110.956 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.67 -45.04 0.29 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 6' ' ' LEU . 16.2 mt -40.69 147.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.419 ' HB2' ' NH2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -159.01 39.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.251 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.3 mtp85 175.77 -32.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.608 1.193 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.673 HD12 HD22 ' A' ' 3' ' ' LEU . 19.4 mt -66.09 -20.65 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.56 -36.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HG2' ' NE2' ' A' ' 12' ' ' HIS . 5.7 mtt85 -84.52 67.12 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HD2' ' CG ' ' A' ' 5' ' ' ARG . 16.0 tttm -145.31 -49.07 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -54.36 -58.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.08 -125.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.616 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.25 112.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.928 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 97.26 -2.53 61.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 19' ' ' PRO . 2.2 p -134.75 -45.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 0.734 . . . . 0.0 109.227 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 5.3 mttt -71.3 -29.79 65.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.636 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.89 -37.1 5.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.93 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.7 m-30 -84.72 -71.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 143.92 -45.49 0.87 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.93 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.1 Cg_endo -74.96 -90.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.507 1.793 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.849 HG23 HD11 ' A' ' 24' ' ' ILE . 11.0 t 173.61 -26.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.684 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -50.55 -171.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 17' ' ' TYR . 1.1 tt 98.65 -79.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 4' ' ' ARG . 13.9 mmm180 -80.78 9.28 6.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.849 HD11 HG23 ' A' ' 20' ' ' THR . 1.5 pt -131.44 -44.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.45 -24.11 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.98 -52.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.327 1.017 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.684 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.79 35.24 13.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.364 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.501 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 72.4 mtt180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 6' ' ' LEU . . . 59.12 -165.61 8.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.685 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.6 pt? -125.85 -47.06 1.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.52 36.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -35.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 3' ' ' LEU . 20.1 mt -66.45 -32.06 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.3 36.9 0.07 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.406 1.066 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 1' ' ' ARG . 80.2 mtt180 -147.38 25.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.774 . . . . 0.0 110.221 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -133.07 -48.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.0 mt -55.79 -59.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.4 -126.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.332 1.02 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.27 112.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.992 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.13 -5.53 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.54 1.15 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.7 ' HB ' HG21 ' A' ' 20' ' ' THR . 0.4 OUTLIER -131.47 -45.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.62 0.835 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 13.2 tttp -69.35 -29.36 67.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.198 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.5 -35.72 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.191 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.02 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.9 m-85 -86.65 -75.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.756 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 116.65 -33.68 4.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.02 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.1 Cg_endo -75.03 -23.63 13.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.736 HG22 HD11 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -29.71 -50.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.456 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -51.43 -172.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.616 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 97.86 -76.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.04 8.1 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.736 HD11 HG22 ' A' ' 20' ' ' THR . 2.2 pt -132.36 -43.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.835 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -109.32 -24.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.225 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.71 -51.53 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 64.04 35.54 10.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.604 ' H1 ' ' HB2' ' A' ' 9' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.587 0.232 . . . . 0.0 110.41 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.03 -39.6 0.56 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.3 mt -137.06 -94.83 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.708 0.887 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 174.47 117.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 165.02 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.62 1.2 . . . . 0.0 110.333 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.27 -17.55 64.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -35.94 3.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.386 1.054 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.92 27.05 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.417 0.716 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HB2' ' H1 ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -128.15 -49.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.389 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.62 -59.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.54 -126.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 109.226 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.77 111.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.369 1.043 . . . . 0.0 109.638 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.59 -4.6 59.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.622 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -133.21 -45.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 8.8 tptt -69.17 -30.14 68.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.62 -35.78 5.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.056 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.4 m-30 -88.73 -75.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.622 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . 127.74 -44.88 1.19 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.521 1.138 . . . . 0.0 111.085 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.098 ' O ' ' N ' ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.02 -91.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.394 1.734 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.593 HG23 ' N ' ' A' ' 21' ' ' VAL . 11.7 t 37.28 -59.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.098 ' N ' ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -50.47 -172.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.619 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.06 -78.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.92 8.56 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.67 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -131.24 -44.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.836 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.22 -23.64 4.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.62 17.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.83 -52.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.746 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.32 35.46 12.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -99.15 -176.48 31.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.76 99.97 8.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -158.62 -60.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 17.8 ttm105 170.24 -29.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.47 -55.51 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.675 1.235 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.08 -120.12 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.417 1.073 . . . . 0.0 110.999 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -84.84 115.58 22.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 0.713 . . . . 0.0 110.362 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' CD ' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.5 -54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 ' CD ' ' A' ' 9' ' ' LYS . 46.6 mt -48.0 -55.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -84.91 -127.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.611 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.61 112.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.551 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.995 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.79 -6.29 60.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.419 1.074 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.63 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 0.5 OUTLIER -130.97 -45.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 2.4 tptt -68.95 -29.34 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.635 1.209 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.34 -35.96 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.995 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.9 m-85 -86.48 -75.87 0.37 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.782 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 116.05 -32.12 5.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.989 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.3 Cg_endo -74.99 -21.92 15.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -41.02 80.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.455 1.097 . . . . 0.0 110.388 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.762 ' O ' HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -50.01 -172.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER 96.71 -77.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -79.3 7.49 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.676 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -130.48 -44.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.831 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.66 -24.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.7 17.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.69 -51.98 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.576 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 61.62 35.21 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.914 0 O-C-N 124.504 1.127 . . . . 0.0 111.063 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.22 150.67 19.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ARG . 20.6 mt -85.62 -75.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.736 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.408 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 3.6 mtt180 44.24 -168.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.86 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.14 -9.99 20.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.82 -56.7 0.75 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -83.08 50.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' CG ' ' A' ' 4' ' ' ARG . 9.8 tptt -117.21 -48.13 2.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.624 1.203 . . . . 0.0 109.22 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -52.8 -55.28 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.25 -127.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.372 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.608 ' CE1' ' HZ1' ' A' ' 16' ' ' LYS . 0.1 OUTLIER 47.51 111.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.711 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.001 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.66 -5.34 60.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.621 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 0.5 OUTLIER -131.16 -45.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 20.4 tttm -68.68 -29.64 68.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.608 ' HZ1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -111.62 -35.52 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.001 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 8.0 m-85 -86.46 -76.17 0.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.088 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.772 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 115.86 -32.59 5.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.0 Cg_endo -75.0 -20.97 16.34 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.549 1.815 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -40.2 76.67 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.803 HG21 ' CA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -39.67 148.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.568 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER 157.97 -77.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.104 . . . . 0.0 109.388 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 3.05 48.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -118.24 -45.76 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.34 1.025 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.29 -31.73 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.38 16.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -121.29 -50.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.803 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 70.39 45.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.571 1.169 . . . . 0.0 111.045 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.554 ' H1 ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.629 0.252 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.08 -42.08 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.405 1.066 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.61 152.0 26.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 109.342 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.85 100.73 11.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 110.239 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 173.44 -29.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.554 HD13 ' H1 ' ' A' ' 1' ' ' ARG . 15.7 mt -69.92 -6.39 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.67 11.37 53.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 2.3 mmp_? -130.61 31.47 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.502 0.766 . . . . 0.0 110.266 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 -50.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.44 -58.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.03 -126.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.13 112.4 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.99 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.74 -6.43 60.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.627 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 0.4 OUTLIER -130.96 -45.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.204 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 4.1 tptt -69.18 -29.56 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -110.94 -35.7 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.99 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -86.92 -75.76 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.781 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 115.9 -32.21 5.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.988 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.98 -20.92 16.43 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.812 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -42.0 77.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.778 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -44.81 176.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.666 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 64.9 mt 98.81 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -106.38 -0.61 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.483 HG13 ' HA ' ' A' ' 21' ' ' VAL . 4.9 pt -125.89 -40.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.837 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.78 -25.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 42.89 20.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.07 -54.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 60.67 34.22 20.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.08 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 4' ' ' ARG . . . 112.55 112.07 3.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 4' ' ' ARG . 5.5 mp 40.13 -97.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.712 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER 83.61 81.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 110.344 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.44 -36.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.93 -5.55 31.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.92 13.27 46.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -152.32 50.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -126.85 -44.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.712 HD11 ' HG2' ' A' ' 4' ' ' ARG . 40.5 mt -51.02 -54.67 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.844 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -160.03 173.29 16.07 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.24 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -165.07 -60.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.24 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -70.13 -13.34 69.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 18' ' ' GLY . 3.7 p -61.85 -36.75 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -20.32 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.727 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.11 -41.98 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.154 ' CZ ' HD22 ' A' ' 22' ' ' LEU . 2.9 m-85 -83.82 -72.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.914 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 147.58 -46.29 0.72 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.399 1.062 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.873 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -75.08 -89.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 19' ' ' PRO . 1.2 t 169.23 -34.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.175 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.99 HG21 ' HB2' ' A' ' 28' ' ' ALA . 2.9 m -57.89 -146.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.154 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 1.3 mp 69.04 138.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.612 1.195 . . . . 0.0 109.237 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 50.69 8.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.227 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 ' HA ' ' A' ' 21' ' ' VAL . 6.9 pt -140.39 -51.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.937 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.75 -29.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 109.196 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.07 19.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.937 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -121.99 -54.97 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.99 ' HB2' HG21 ' A' ' 21' ' ' VAL . . . 65.11 37.24 6.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.565 1.166 . . . . 0.0 111.072 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.69 -138.64 14.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -149.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 0.713 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -47.92 142.87 4.58 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -179.94 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 110.338 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.02 -54.38 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.24 -94.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -154.85 73.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 -43.33 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.677 ' O ' HD13 ' A' ' 24' ' ' ILE . 42.3 mt -46.84 -52.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.981 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . . . -163.29 178.44 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.029 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.46 -42.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.624 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.029 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.56 -16.8 72.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.373 1.045 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.618 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.9 p -66.94 -33.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.702 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.88 -41.45 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.015 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 6.6 m-85 -83.42 -74.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.64 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.61 -42.06 1.84 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.015 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.0 Cg_endo -75.11 -29.19 8.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.576 ' CG2' ' HB ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -27.04 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -37.62 158.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.565 1.166 . . . . 0.0 109.183 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.725 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 154.59 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -86.73 8.26 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.981 ' CD1' ' HB2' ' A' ' 11' ' ' ALA . 1.2 pt -121.72 -49.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.596 1.185 . . . . 0.0 109.431 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.851 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.97 -34.51 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.01 15.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 110.303 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.851 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.2 mt -121.31 -51.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.609 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 65.27 40.06 5.06 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 110.942 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.565 ' O ' HD12 ' A' ' 3' ' ' LEU . . . 157.2 -157.01 27.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 2' ' ' GLY . 0.7 OUTLIER -163.56 49.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.484 ' CB ' ' HB2' ' A' ' 9' ' ' LYS . 1.8 mpt_? -148.02 -174.7 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 175.79 18.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.35 1.031 . . . . 0.0 110.359 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB2' ' CG ' ' A' ' 9' ' ' LYS . 5.1 mt -76.87 -11.42 59.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 109.197 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.63 -52.74 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.57 33.71 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.303 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -127.59 -45.0 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -46.01 -52.24 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -164.96 174.0 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.077 ' CE1' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -147.37 -42.41 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.034 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.99 -15.47 74.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.562 HG23 ' C ' ' A' ' 19' ' ' PRO . 6.3 p -66.76 -34.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -21.3 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.682 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.66 -41.49 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.964 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.8 m-85 -81.39 -71.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.608 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 141.02 -44.57 1.02 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.964 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.2 Cg_endo -75.09 -88.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.573 1.828 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 19' ' ' PRO . 2.2 t 171.83 -23.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.693 HG11 ' CA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -23.15 137.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.369 1.043 . . . . 0.0 109.218 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.077 HD11 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -177.87 113.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 47.28 15.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.587 HG13 ' H ' ' A' ' 25' ' ' ILE . 7.2 pt -125.7 -49.19 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.865 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.04 -38.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.671 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.63 18.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.29 -51.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 86.0 63.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 10' ' ' ILE . . . 105.28 56.11 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.9 HD13 ' HA2' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -162.02 115.3 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.25 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 3' ' ' LEU . 1.3 ttm180 -162.81 -40.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.33 -6.68 44.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.9 ' HA2' HD13 ' A' ' 3' ' ' LEU . . . 68.14 5.14 39.62 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.97 62.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 0.74 . . . . 0.0 110.241 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -124.14 -43.7 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 2' ' ' GLY . 44.0 mt -47.12 -51.52 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.47 176.88 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.039 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.7 -43.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.683 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.039 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.06 -15.82 76.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.64 ' HB ' HG21 ' A' ' 20' ' ' THR . 2.8 p -67.16 -34.08 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -60.41 -22.43 63.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.17 -41.57 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.066 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 14.2 m-85 -83.25 -73.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.418 1.074 . . . . 0.0 111.001 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.636 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . 131.29 -44.22 1.23 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.066 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.1 Cg_endo -74.99 -73.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 19' ' ' PRO . 4.6 t 55.74 17.72 2.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -51.38 -171.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 10.1 tp 98.1 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 5.4 mmm180 -80.56 8.88 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.678 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.8 pt -131.71 -44.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.11 -24.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.85 -51.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.703 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.1 35.71 12.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' CZ ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.95 -122.86 2.28 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.768 HD23 ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 49.69 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -128.51 2.8 5.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.376 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER 158.8 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.416 1.073 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.78 -22.74 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.768 ' HA3' HD23 ' A' ' 3' ' ' LEU . . . -141.08 -129.24 2.48 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.539 1.149 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.76 112.13 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.386 0.697 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.1 -49.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.794 HG22 HG22 ' A' ' 24' ' ' ILE . 39.9 mt -50.85 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 24' ' ' ILE . . . -153.81 174.96 13.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.997 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -155.33 -39.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.698 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.997 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.81 -18.52 70.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.599 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 1.9 p -65.79 -34.8 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.94 -22.36 65.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -41.11 4.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.053 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.1 m-85 -82.78 -75.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.668 ' O ' HG13 ' A' ' 21' ' ' VAL . . . 116.45 -40.69 2.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.053 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.7 Cg_endo -74.92 -17.07 20.08 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.501 1.79 . . . . 0.0 111.066 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.603 ' O ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -47.4 -10.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.725 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -47.62 -171.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.631 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.12 -77.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -80.2 8.55 7.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.037 HG21 ' HB2' ' A' ' 11' ' ' ALA . 2.0 pt -131.55 -43.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.834 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.3 -24.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.834 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.99 -51.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.725 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 62.96 36.03 12.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.948 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.67 133.46 2.84 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -94.09 95.62 9.12 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 0.751 . . . . 0.0 109.239 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 4.3 mtt-85 -93.67 -72.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 154.23 17.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.355 1.034 . . . . 0.0 110.367 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.85 -21.37 57.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.54 -62.36 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.71 87.29 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -129.61 -43.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.66 -52.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.8 176.92 8.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.041 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.65 -43.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.616 1.197 . . . . 0.0 109.541 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.041 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.97 -15.86 76.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' A' ' 20' ' ' THR . 2.9 p -66.93 -34.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -22.18 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.23 -41.65 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.065 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 15.6 m-85 -83.39 -73.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.634 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . 131.53 -44.28 1.22 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.43 1.082 . . . . 0.0 111.036 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.065 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.3 Cg_endo -75.01 -73.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 19' ' ' PRO . 4.5 t 56.14 17.32 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.62 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -29.74 144.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 165.17 -69.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -98.13 8.04 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.063 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 pt -124.41 -45.49 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.839 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.41 -38.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.07 14.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.593 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 69.94 40.86 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.665 1.228 . . . . 0.0 110.937 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.508 ' O ' ' C ' ' A' ' 3' ' ' LEU . . . 116.21 -40.91 2.26 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' GLY . 5.0 mt -32.18 97.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 3.4 mmt-85 -54.83 89.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 14.7 ptt180 159.26 21.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.19 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -14.85 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.0 -49.42 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 61.0 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -52.58 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.391 1.057 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.959 ' O ' HD12 ' A' ' 22' ' ' LEU . 44.0 mt -50.73 -56.01 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.813 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . . . -154.51 171.52 19.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.99 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -158.02 -39.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.117 . . . . 0.0 109.698 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.99 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.26 -18.81 70.75 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.557 1.161 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.787 HG21 HG12 ' A' ' 24' ' ' ILE . 2.4 p -64.91 -34.91 73.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.401 0.707 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -22.67 66.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.387 1.054 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.694 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.23 -40.76 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.047 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 4.1 m-85 -82.22 -74.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.697 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 117.14 -38.78 2.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.142 . . . . 0.0 110.99 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.047 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.95 -28.98 8.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -64.17 61.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.957 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -37.31 153.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER 152.3 -71.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.8 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.9 mmm180 -89.17 3.39 52.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.787 HG12 HG21 ' A' ' 14' ' ' VAL . 1.2 pt -121.2 -49.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.863 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.53 -33.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.03 17.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.55 -53.08 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 61.62 33.96 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.43 1.081 . . . . 0.0 111.071 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.89 -133.04 7.04 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -130.79 161.7 31.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.645 0.85 . . . . 0.0 109.375 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 49.67 -92.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 0.5 OUTLIER 161.77 -24.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.614 1.196 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.07 -9.98 45.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.29 -52.27 3.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.403 1.065 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 59.85 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.267 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -126.17 -43.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.3 mt -49.37 -53.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.008 ' HB2' HD12 ' A' ' 24' ' ' ILE . . . -157.8 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.016 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.24 -41.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.693 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.016 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.21 -17.71 71.07 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.957 HG21 HG13 ' A' ' 21' ' ' VAL . 1.8 p -67.12 -34.39 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -61.12 -22.84 65.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.24 -41.34 4.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.025 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 6.3 m-85 -82.91 -73.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.652 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.6 -41.06 2.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.025 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.2 Cg_endo -75.05 -31.74 5.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.569 1.826 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.898 ' O ' HD11 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -63.39 66.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.38 1.05 . . . . 0.0 110.396 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.005 HG12 ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -127.18 1.45 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.209 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.781 ' O ' HG12 ' A' ' 24' ' ' ILE . 18.6 tp -69.19 147.69 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 46.72 29.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.008 HD12 ' HB2' ' A' ' 11' ' ' ALA . 31.3 pt -150.5 -56.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.005 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -123.17 -30.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.686 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 43.22 19.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.614 1.196 . . . . 0.0 110.357 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.63 -53.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 84.94 57.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 111.101 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.469 ' HG3' HG23 ' A' ' 24' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.699 ' O ' HD23 ' A' ' 3' ' ' LEU . . . -108.71 -76.94 0.96 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.15 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 2' ' ' GLY . 0.2 OUTLIER 60.67 139.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 0.813 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -146.51 -78.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER 167.23 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.642 1.213 . . . . 0.0 110.353 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.46 -9.84 38.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.45 -3.32 68.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.616 1.197 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 11.57 38.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 4.7 tptt -127.01 -44.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.285 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.6 mt -48.73 -53.79 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' A' ' 24' ' ' ILE . . . -157.61 176.68 12.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.199 . . . . 0.0 109.31 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.012 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.15 -41.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.573 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.012 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.16 -17.59 71.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.385 1.053 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.97 HG21 HG13 ' A' ' 21' ' ' VAL . 1.8 p -66.97 -34.49 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -61.08 -23.1 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.665 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.01 -41.42 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.031 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.8 m-85 -82.75 -73.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.652 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.41 -41.23 2.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.031 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.3 Cg_endo -75.0 -31.59 6.07 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.605 1.845 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.903 ' O ' HD11 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -63.58 66.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.004 HG12 ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -127.29 1.88 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.76 ' O ' HG12 ' A' ' 24' ' ' ILE . 7.5 mt -69.68 147.53 50.46 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 47.31 28.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.05 HD12 ' HB2' ' A' ' 11' ' ' ALA . 32.5 pt -149.86 -56.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.004 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -123.07 -29.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.87 19.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.859 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.35 -53.33 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 85.21 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.38 43.92 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.749 ' HB2' HD12 ' A' ' 6' ' ' LEU . 2.5 mm? 41.73 90.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 0.784 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.69 73.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -179.63 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.61 1.194 . . . . 0.0 110.374 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 3' ' ' LEU . 18.8 mt -65.3 -22.43 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.58 1.175 . . . . 0.0 109.212 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 0.0 111.014 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HG2' ' NE2' ' A' ' 12' ' ' HIS . 16.6 mtm180 -84.64 56.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.304 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.59 -46.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 22' ' ' LEU . 38.0 mt -54.19 -58.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -88.38 -125.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.68 111.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.56 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 95.93 -3.42 64.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.782 HG21 ' H ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -135.75 -45.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -69.78 -30.51 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HZ1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -110.89 -35.59 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.056 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.5 m-85 -85.66 -74.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.671 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.65 -40.4 2.23 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.056 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.1 Cg_endo -74.99 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -30.74 83.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.707 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -29.27 142.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.402 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER 171.74 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' HG21 ' A' ' 14' ' ' VAL . 6.0 mmt85 -98.13 6.58 47.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.645 1.216 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.529 HG12 ' CG2' ' A' ' 14' ' ' VAL . 2.4 pt -121.64 -44.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.855 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -115.14 -39.32 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.575 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.97 14.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.77 -49.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.627 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.38 35.83 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.262 -0.274 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.438 ' C ' HD12 ' A' ' 3' ' ' LEU . . . -92.37 -134.5 6.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 2' ' ' GLY . 3.4 mp -148.6 147.89 29.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 0.747 . . . . 0.0 109.224 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.13 -153.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -179.29 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.213 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.4 mt -76.25 -54.41 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.35 -94.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' NH2' ' HE3' ' A' ' 15' ' ' LYS . 1.2 mmp_? -135.43 78.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -127.54 -50.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.385 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.6 HG22 HD21 ' A' ' 22' ' ' LEU . 36.3 mt -55.84 -59.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.602 1.189 . . . . 0.0 109.357 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.599 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -71.59 -121.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.153 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.24 112.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.709 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.958 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.22 -4.67 58.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.575 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -134.11 -46.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 2.7 ttpt -70.3 -30.61 67.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.401 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.85 -35.96 6.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.057 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 7.6 m-85 -86.25 -72.38 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.72 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 123.29 -36.1 3.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.057 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.2 Cg_endo -74.94 -77.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.756 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.3 OUTLIER -23.09 82.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.36 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.728 HG23 ' H ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -31.22 145.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.9 tm? 175.68 112.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' LEU . 2.6 mmm180 47.36 15.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.586 HG13 ' H ' ' A' ' 25' ' ' ILE . 8.5 pt -125.49 -49.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.86 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.64 -37.88 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.728 ' H ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.28 18.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.26 -52.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 85.37 36.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.371 1.044 . . . . 0.0 109.345 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.412 ' HA3' ' CD ' ' A' ' 9' ' ' LYS . . . -107.56 152.22 16.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.596 1.185 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 4' ' ' ARG . 76.0 mt -154.36 79.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.16 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.565 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 33.45 89.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.255 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.65 -36.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.65 -5.89 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.84 60.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -154.83 40.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 110.23 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' CD ' ' HA3' ' A' ' 2' ' ' GLY . 47.4 tttm -126.12 -47.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.404 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -54.39 -57.85 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.05 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.613 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.17 -125.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.88 112.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.573 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.947 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 97.95 -3.24 60.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.621 HG23 ' CG2' ' A' ' 20' ' ' THR . 1.6 p -134.68 -45.85 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 35.3 mttt -69.31 -30.24 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.626 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.36 -35.83 5.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.022 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 9.8 m-85 -87.94 -75.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.618 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 122.92 -44.11 1.36 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.022 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.6 Cg_endo -74.95 -34.02 4.2 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.563 1.822 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER 46.69 -76.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.742 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -51.57 -171.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER 98.19 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.06 9.58 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.664 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.75 -44.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.825 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.25 -24.19 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.12 -51.8 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.677 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.77 35.08 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.528 0.902 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.62 -154.46 6.87 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 111.038 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.54 162.29 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 0.726 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -89.28 77.39 7.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 171.22 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.31 -7.98 35.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.08 15.32 81.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.97 47.06 2.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 0.779 . . . . 0.0 110.336 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -131.01 -46.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 22' ' ' LEU . 36.4 mt -55.35 -59.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.7 -125.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.89 112.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.607 1.192 . . . . 0.0 109.604 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.976 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.38 -4.05 59.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.033 ' CG2' HD13 ' A' ' 24' ' ' ILE . 1.7 p -133.44 -45.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 0.783 . . . . 0.0 109.364 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 7.2 mptt -70.34 -29.26 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.66 -36.25 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.014 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 4.2 m-85 -85.99 -73.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.721 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 123.41 -36.69 2.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.014 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.6 Cg_endo -75.07 -73.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.462 1.77 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.818 ' O ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -23.51 89.73 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.462 1.101 . . . . 0.0 110.381 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.85 HG11 ' HA ' ' A' ' 28' ' ' ALA . 1.5 m -43.16 -161.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.648 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER 95.37 127.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.386 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 10' ' ' ILE . 3.9 mmt180 48.61 11.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.353 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.033 HD13 ' CG2' ' A' ' 14' ' ' VAL . 6.2 pt -133.71 -50.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.833 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -120.56 -26.7 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.12 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -117.0 -56.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.85 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 68.4 46.09 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.426 1.079 . . . . 0.0 111.08 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.11 66.35 2.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -112.02 4.66 18.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 85.74 4.77 0.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 46.4 ttt85 177.41 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.191 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.626 HD12 HD22 ' A' ' 3' ' ' LEU . 14.8 mt -76.82 -6.0 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.08 -43.19 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.628 1.205 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -84.15 42.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 26.9 tptt -147.8 -46.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.26 -56.93 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.207 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.34 -126.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.38 112.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.958 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.09 -4.11 60.59 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.964 HG21 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -133.64 -46.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 0.833 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 16.5 tptt -69.73 -30.92 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.88 -35.84 6.05 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.016 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 4.7 m-85 -87.72 -73.01 0.5 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 111.083 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.656 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 126.46 -40.69 1.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 1.016 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.3 Cg_endo -75.07 -80.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.402 1.738 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 20' ' ' THR . 0.7 OUTLIER -23.55 80.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 110.442 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 25' ' ' ILE . 29.3 m -79.83 -127.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.763 ' O ' HG12 ' A' ' 24' ' ' ILE . 11.3 tp 56.85 145.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 52.54 12.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.964 HD12 HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -151.57 -59.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.22 -28.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.401 1.063 . . . . 0.0 109.244 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.77 22.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -118.79 -55.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.636 1.21 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.803 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . 65.3 40.62 4.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.68 -65.69 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.574 1.171 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 40.56 47.18 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -160.24 -154.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.426 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 178.67 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 110.32 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.24 -54.96 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.215 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' O ' ' CZ ' ' A' ' 8' ' ' ARG . . . -37.23 -94.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' CZ ' ' O ' ' A' ' 7' ' ' GLY . 10.1 mmp_? -135.24 79.99 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 0.722 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.9 tptt -128.87 -45.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.09 -58.04 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.1 -126.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.23 110.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.536 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.95 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.33 -3.66 58.16 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.812 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.89 -42.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.595 0.821 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 5.7 tptm -71.54 -33.14 68.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.183 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.569 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -108.71 -34.48 6.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.95 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.621 1.201 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.18 -45.19 20.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.812 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.0 Cg_endo -74.93 -33.66 4.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.864 HG22 ' HA ' ' A' ' 17' ' ' TYR . 1.3 t -84.88 54.45 3.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.785 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -50.03 -173.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.581 1.175 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 tp 97.93 -74.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.06 5.21 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.45 -43.31 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.49 -24.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER 44.74 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.79 -51.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.22 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.785 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.98 35.37 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.13 72.47 0.04 OUTLIER Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.9 mt -127.42 178.52 6.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.5 -154.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -178.94 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.38 -54.96 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.37 -93.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -135.73 81.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -130.04 -44.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.92 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.5 -57.67 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.93 -127.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.608 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.36 110.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 109.584 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.95 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.27 -3.5 58.18 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.814 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.96 -42.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -71.48 -33.13 69.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.572 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -108.78 -34.5 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.95 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 4.5 m-85 -85.05 -45.23 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.593 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.18 -45.16 20.71 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.814 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.12 -33.69 4.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 110.958 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.868 HG22 ' HA ' ' A' ' 17' ' ' TYR . 1.3 t -84.92 54.92 3.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.634 HG23 HD23 ' A' ' 22' ' ' LEU . 1.1 m -50.39 -172.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.66 1.225 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.634 HD23 HG23 ' A' ' 21' ' ' VAL . 27.5 mt 94.03 -72.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -78.75 4.49 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.633 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.85 -43.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -107.2 -24.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.389 1.056 . . . . 0.0 109.234 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.65 17.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.389 1.055 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.04 -51.66 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.621 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.55 35.44 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.0 -133.87 11.7 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.121 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.6 175.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.2 -153.38 0.12 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.3 ptt180 -179.53 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.6 mt -76.39 -54.65 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.48 -94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.46 82.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 8.4 tptt -130.78 -44.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -53.47 -57.56 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.205 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.73 -126.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.653 1.221 . . . . 0.0 109.374 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.57 110.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.675 1.235 . . . . 0.0 109.655 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.954 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.1 -3.24 58.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.858 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.9 -42.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.386 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 2.1 tppt? -71.27 -32.86 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.953 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -109.43 -34.75 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.662 1.227 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.954 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.46 -44.78 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.581 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -48.81 -45.92 31.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.858 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.12 -40.77 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.553 1.818 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.953 HG22 ' O ' ' A' ' 16' ' ' LYS . 5.1 t -106.05 61.15 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.494 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.928 HG11 ' HA ' ' A' ' 28' ' ' ALA . 2.4 m -54.83 -155.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.654 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER 88.42 130.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.38 13.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.761 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.2 pt -137.82 -50.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.93 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.52 -29.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 41.85 19.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 1.05 . . . . 0.0 110.25 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.93 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.77 -54.77 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.928 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 63.66 35.77 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.074 179.917 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.69 -108.46 0.23 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.418 1.074 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.73 -49.14 8.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -53.34 162.9 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.4 ttt180 178.14 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.41 -55.02 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.32 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -135.79 81.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.252 -179.887 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.41 -45.08 1.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.163 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.27 -57.7 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.26 110.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.557 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.936 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.42 -3.51 57.95 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.595 1.185 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.917 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.95 -42.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -71.02 -33.44 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 109.24 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.61 -34.83 6.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.897 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.936 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.9 m-85 -84.22 -44.88 13.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -49.5 -50.18 30.87 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.936 ' O ' HD11 ' A' ' 24' ' ' ILE . 18.3 Cg_endo -75.09 -38.96 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.582 1.833 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.52 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.6 t 28.64 41.32 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -52.3 -173.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 97.7 -74.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -79.92 7.37 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.936 HD11 ' O ' ' A' ' 19' ' ' PRO . 2.7 pt -132.87 -43.22 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.811 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.601 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.52 17.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.811 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.01 -51.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.24 35.18 12.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.161 . . . . 0.0 111.045 -179.973 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.604 ' H2 ' HD13 ' A' ' 6' ' ' LEU . 60.3 mtt180 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.64 65.25 0.18 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.904 ' HB2' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -145.88 -170.22 3.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.597 0.822 . . . . 0.0 109.263 179.874 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.11 49.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.228 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.1 ttm180 175.52 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.904 HD12 ' HB2' ' A' ' 3' ' ' LEU . 12.1 mt -76.15 -52.15 10.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -35.78 -93.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -137.93 70.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.7 tptt -121.78 -50.18 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.03 -56.46 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.604 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.83 -127.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.191 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.604 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.86 110.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.49 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.949 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.87 -3.75 58.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.663 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -135.33 -43.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.412 0.713 . . . . 0.0 109.388 179.852 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -70.71 -34.41 71.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -107.48 -34.59 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.949 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 5.9 m-85 -85.7 -44.7 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.765 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -45.53 -40.0 8.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.419 1.075 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.706 ' HD2' ' C ' ' A' ' 17' ' ' TYR . 18.2 Cg_endo -75.02 -67.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.43 1.752 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -22.32 -60.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -29.56 94.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.658 ' O ' HG12 ' A' ' 24' ' ' ILE . 1.5 mt -140.18 124.7 18.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 5.7 mmm180 49.28 13.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.08 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 22' ' ' LEU . 1.2 pt -121.64 -54.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.874 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.59 -36.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.936 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 41.92 17.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.874 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.31 -50.81 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 65.37 36.13 7.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.582 1.176 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.13 -111.93 2.97 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.378 1.049 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.785 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -123.47 125.77 45.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.339 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -175.21 -54.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.232 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 9.2 mtm180 -174.0 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.4 mt -75.55 -54.96 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -43.51 -95.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.577 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 7.8 ptt180 -152.36 74.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.05 -44.58 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 38.5 mt -53.55 -57.42 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.606 1.192 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.46 110.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.938 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.13 -3.56 58.4 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.436 1.085 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.911 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.99 -42.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 2.5 mttt -70.9 -33.56 70.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.612 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.41 -34.82 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.938 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.5 m-85 -84.26 -44.86 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.51 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -49.43 -50.16 30.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.911 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 -36.29 2.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.405 1.74 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.558 ' CG2' ' CD ' ' A' ' 23' ' ' ARG . 1.2 t 32.66 37.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.776 HG23 ' HB ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -38.72 -29.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.63 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -64.71 14.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.682 ' H ' ' C ' ' A' ' 21' ' ' VAL . 7.0 ptm180 -141.21 5.11 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.612 ' CG1' ' HA ' ' A' ' 21' ' ' VAL . 8.2 pt -142.7 -42.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.826 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.42 -27.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.63 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.5 19.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -118.88 -52.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.92 35.84 10.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.878 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.16 -14.99 18.61 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.53 33.74 21.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.668 0.863 . . . . 0.0 109.391 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -107.34 -38.98 5.8 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.513 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mtm180 -177.14 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.27 -52.46 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -44.21 -99.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -129.04 85.37 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 5.8 tmtt? -125.72 -48.18 1.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -44.65 -51.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.66 176.22 9.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.614 1.196 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.024 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.05 -43.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.075 . . . . 0.0 109.542 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.024 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.63 -17.01 74.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.813 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.5 p -66.04 -31.8 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -61.8 -24.73 67.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.201 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -39.94 5.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.945 ' HA ' HG22 ' A' ' 20' ' ' THR . 3.1 m-85 -81.86 -45.96 14.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -45.79 -48.16 13.37 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.813 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.13 -31.97 5.61 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.945 HG22 ' HA ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -91.39 37.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 110.407 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.643 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -28.68 144.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.574 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER 168.1 -74.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' HD23 ' A' ' 22' ' ' LEU . 1.3 ptp180 -93.32 8.39 40.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.749 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.6 pt -123.91 -46.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.194 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.45 -39.18 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.175 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.76 14.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.065 . . . . 0.0 110.31 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.22 -49.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.61 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.83 42.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.386 1.054 . . . . 0.0 111.087 179.93 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.47 99.9 0.38 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.531 1.144 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.617 ' HB2' HD12 ' A' ' 6' ' ' LEU . 6.1 mt -98.71 -97.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -144.34 53.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 2.7 mmt180 158.72 -22.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 110.183 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.617 HD12 ' HB2' ' A' ' 3' ' ' LEU . 19.8 mt -64.89 -18.9 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.546 ' HA2' HD12 ' A' ' 10' ' ' ILE . . . 153.13 -20.22 0.74 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.604 1.19 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.37 9.83 12.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.553 0.796 . . . . 0.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 -43.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.546 HD12 ' HA2' ' A' ' 7' ' ' GLY . 44.1 mt -45.78 -51.99 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.381 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.11 176.74 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.025 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.29 -42.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.025 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.64 -17.03 74.14 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.813 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.5 p -65.99 -31.8 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.527 0.78 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 4.4 ttpp -61.9 -24.66 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.68 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.21 -39.89 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.218 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.846 ' HA ' HG22 ' A' ' 20' ' ' THR . 4.6 m-85 -82.11 -45.93 14.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -45.56 -46.69 12.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.813 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.08 -33.45 4.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 111.009 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -83.69 53.18 2.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.498 1.123 . . . . 0.0 110.458 179.924 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -49.61 -173.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.626 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 2.5 tp 97.96 -74.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 5.19 12.85 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.41 -43.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.82 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.32 -24.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.238 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.23 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.82 -51.6 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.51 35.39 11.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.366 1.041 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.554 ' HG2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.17 -109.87 0.34 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.576 1.172 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.65 166.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 0.759 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -116.57 -7.25 11.62 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.397 1.06 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER 154.61 18.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' H ' ' H ' ' A' ' 5' ' ' ARG . 4.7 mt -76.05 -19.55 58.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.9 -53.58 0.1 OUTLIER Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.67 98.37 7.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 0.717 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -129.55 -43.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -45.63 -51.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.29 176.67 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.216 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.026 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.14 -43.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.026 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.51 -17.1 74.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.808 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.5 p -66.01 -31.78 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 3.1 mttt -61.89 -24.73 67.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.02 -39.92 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.94 ' HA ' HG22 ' A' ' 20' ' ' THR . 3.1 m-85 -81.89 -46.03 14.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -45.87 -48.05 13.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.808 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.6 Cg_endo -74.93 -32.85 5.15 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.94 HG22 ' HA ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -89.8 37.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.373 1.046 . . . . 0.0 110.455 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.642 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -28.37 143.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 124.441 1.088 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.581 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 2.1 tp 169.96 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.0 mmp_? -93.56 9.11 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.77 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.7 pt -124.74 -46.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.369 1.043 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.8 -39.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.24 -179.93 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.581 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.65 14.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.888 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 25' ' ' ILE . 2.9 mt -121.5 -49.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.622 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.86 39.67 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.399 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.153 . . . . 0.0 110.953 179.955 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.91 -81.67 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.662 HD13 ' H ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -40.19 151.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.383 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 40.05 87.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.327 179.909 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER 166.89 -27.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.273 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.5 mt -73.79 -50.67 19.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.74 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.596 1.185 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -147.03 74.5 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.348 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.18 -43.43 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 42.6 mt -46.8 -52.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.63 177.05 9.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.037 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.31 -43.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.037 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.47 -16.82 75.0 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.842 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.3 p -66.39 -31.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 24.2 mttt -62.02 -23.98 66.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -109.0 -40.02 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.604 ' HB3' HD12 ' A' ' 24' ' ' ILE . 3.1 m-30 -81.33 -45.69 15.81 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -47.57 -48.42 22.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.842 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.8 Cg_endo -74.85 -38.73 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.917 HG22 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -107.71 55.22 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 110.358 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.914 HG11 ' HA ' ' A' ' 28' ' ' ALA . 5.0 m -56.01 -151.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.588 ' HG ' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER 83.52 132.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 47.89 13.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 1.069 . . . . 0.0 110.352 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.7 pt -138.88 -50.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.928 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.83 -30.37 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.373 1.046 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.12 18.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.928 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.83 -54.14 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.914 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 70.24 37.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.69 172.99 13.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -57.24 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.736 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.432 ' H ' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -170.44 79.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -171.51 -37.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.398 1.061 . . . . 0.0 110.203 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.25 -8.69 41.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.41 -55.53 2.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.424 1.077 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -86.76 46.36 1.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.591 0.818 . . . . 0.0 110.249 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -125.51 -43.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -46.51 -51.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.12 176.76 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.034 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.4 -43.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.034 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.45 -16.93 74.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.827 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.6 p -65.92 -31.89 55.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.592 0.819 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -61.82 -24.65 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.671 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.08 -40.04 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.872 ' HA ' HG22 ' A' ' 20' ' ' THR . 3.1 m-85 -81.69 -45.59 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -46.94 -49.2 18.01 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.451 1.095 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.827 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.03 -35.65 2.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.394 1.734 . . . . 0.0 111.009 179.909 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.872 HG22 ' HA ' ' A' ' 17' ' ' TYR . 0.7 OUTLIER -92.1 30.46 1.43 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -20.52 95.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.663 ' O ' HG12 ' A' ' 24' ' ' ILE . 5.1 tp -138.64 122.41 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.6 mmm180 48.99 15.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.865 HD13 ' HB3' ' A' ' 17' ' ' TYR . 1.4 pt -122.55 -53.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.878 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.76 -35.54 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.64 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 41.22 17.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.625 1.203 . . . . 0.0 110.356 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.878 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.23 -51.58 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 72.15 47.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.948 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -147.6 170.94 28.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.56 -170.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -87.26 -84.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 178.68 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 110.29 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.29 -54.8 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.19 -93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -136.77 79.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.389 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -127.6 -42.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 -179.87 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.8 mt -46.02 -51.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.4 176.65 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.035 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.06 -43.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.035 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.59 -17.02 74.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.816 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.6 p -65.94 -31.95 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 0.815 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 18.9 tttm -61.7 -24.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.977 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -108.1 -40.18 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 3.1 m-85 -81.54 -45.49 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -46.55 -49.19 16.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.4 1.062 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.816 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.99 -39.54 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.977 HG22 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -109.42 52.48 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.472 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.948 HG12 ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -63.64 2.41 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' A' ' 20' ' ' THR . 2.2 mm? -71.71 151.27 43.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 47.36 22.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.901 HD11 ' HA ' ' A' ' 21' ' ' VAL . 10.0 pt -144.18 -55.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.948 ' CD1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -122.32 -28.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER 42.82 20.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.859 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -120.04 -54.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.204 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.72 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 83.97 44.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 38.24 -109.77 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 5' ' ' ARG . 1.8 mm? 44.38 40.16 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 67.36 -71.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.504 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 173.47 -31.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.8 mt -76.2 -54.97 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.6 1.188 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.72 -93.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.485 1.116 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.15 79.15 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 0.704 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -127.34 -42.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.903 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 mt -46.02 -51.52 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.52 176.58 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.031 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.031 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.47 -16.88 74.86 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.836 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.7 p -66.17 -32.05 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 0.709 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 20.0 mmtt -61.29 -25.22 66.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.83 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -107.27 -40.37 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.413 1.07 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 13.1 m-85 -81.23 -44.96 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -48.23 -52.28 18.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.836 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -75.01 -87.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.864 HG23 HD11 ' A' ' 24' ' ' ILE . 10.1 t 178.55 -24.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.71 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -50.34 -171.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.362 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 16' ' ' LYS . 3.6 tt 98.88 -78.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 9.78 6.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.864 HD11 HG23 ' A' ' 20' ' ' THR . 1.5 pt -131.92 -44.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.826 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.61 -23.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.51 17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.92 -51.85 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.71 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.22 35.14 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.967 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.79 116.07 0.01 OUTLIER Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.566 1.166 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.87 -78.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 0.822 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -174.03 34.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.222 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.22 -32.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.84 -29.63 70.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.22 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.18 17.19 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 0.808 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -144.43 -67.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -55.52 -59.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.485 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -95.76 -177.1 3.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.235 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -179.25 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.888 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.235 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -69.53 -14.89 70.1 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.761 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 14.6 p -61.76 -33.59 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 34.1 ttmt -62.82 -23.4 67.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.693 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.48 -39.95 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.872 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.814 ' HA ' HG22 ' A' ' 20' ' ' THR . 2.9 m-85 -82.72 -46.61 12.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -44.43 -46.75 8.63 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.761 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.95 -34.68 3.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -80.9 53.65 2.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.362 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.746 HG23 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -55.81 -162.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.746 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER 97.01 -82.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.211 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HG2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.17 28.42 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.596 HG13 ' HA ' ' A' ' 21' ' ' VAL . 3.9 pt -150.79 -44.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.9 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.841 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -113.23 -25.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CD ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.78 17.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -119.88 -51.91 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.69 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 69.19 39.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.93 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.754 ' C ' HD11 ' A' ' 6' ' ' LEU . 3.0 mtt180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.56 169.83 14.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.97 131.75 20.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 0.819 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 62.65 57.74 1.74 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -177.22 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.206 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.754 HD11 ' C ' ' A' ' 1' ' ' ARG . 18.1 mt -65.56 -30.13 70.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.371 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 39.29 0.03 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.479 1.112 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -145.24 17.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.619 0.835 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.36 -44.1 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.08 -52.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.46 176.47 8.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.04 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.72 -43.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.582 -179.92 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.04 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.42 -16.72 75.35 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.545 1.153 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.843 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.8 p -66.15 -32.35 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 27.6 mmtt -61.17 -24.63 66.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.07 -40.27 5.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.581 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 6.1 m-85 -80.52 -45.04 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -50.08 -54.48 18.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.843 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.6 Cg_endo -75.05 -41.85 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.559 ' O ' ' C ' ' A' ' 21' ' ' VAL . 5.2 t 24.73 45.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.414 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.636 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -27.86 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.933 HD13 ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER 169.87 -66.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.218 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.933 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.53 7.68 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.676 HD11 ' O ' ' A' ' 19' ' ' PRO . 2.1 pt -124.4 -44.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -114.66 -39.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.29 14.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.63 -49.0 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 70.01 43.29 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.172 . . . . 0.0 111.01 179.995 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.871 ' O ' HD12 ' A' ' 3' ' ' LEU . . . 146.48 80.99 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.889 ' HB2' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -159.86 -178.16 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.796 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.8 mmt-85 -82.86 51.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER 176.97 -33.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.325 -179.894 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.889 HD12 ' HB2' ' A' ' 3' ' ' LEU . 12.9 mt -76.38 -54.9 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.98 -93.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -136.94 79.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.3 tptt -127.49 -43.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.9 mt -46.14 -51.49 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.399 1.062 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.56 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 1.03 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.623 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 1.03 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.55 -16.85 74.77 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.84 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.7 p -66.09 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -61.3 -24.92 66.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.67 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.83 -40.18 5.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 109.378 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 9.9 m-85 -80.92 -45.06 17.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -49.25 -53.14 20.67 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.84 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.93 -84.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.541 1.811 . . . . 0.0 111.099 179.913 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.694 ' O ' ' O ' ' A' ' 21' ' ' VAL . 10.3 t 36.67 28.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.42 1.075 . . . . 0.0 110.346 179.91 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.838 HG23 ' N ' ' A' ' 22' ' ' LEU . 1.4 m 35.75 -169.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.838 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER 97.98 -79.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 13.48 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.216 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.666 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pt -134.11 -45.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.841 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -111.07 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.07 17.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.1 -51.76 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.664 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 68.81 45.07 1.03 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.448 1.093 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.546 1.154 . . . . 0.0 110.911 -179.904 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.48 168.24 25.55 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.474 1.108 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.533 HD22 ' HA3' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -133.87 -179.7 5.7 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.374 0.69 . . . . 0.0 109.456 179.895 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -68.32 -62.93 1.18 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.508 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.8 ptp180 179.29 -34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.35 -55.15 5.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' HA3' HD22 ' A' ' 3' ' ' LEU . . . -38.05 -94.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -135.24 82.53 1.96 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.18 -44.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -53.55 -57.68 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.04 -127.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.09 110.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.645 1.215 . . . . 0.0 109.651 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.935 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.57 -3.87 57.89 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.591 1.182 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.836 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -135.31 -42.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.897 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -71.43 -33.03 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.197 -179.897 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.39 -34.99 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.935 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.2 m-30 -84.79 -45.39 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.567 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.0 -46.87 20.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.836 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.02 -31.9 5.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.814 . . . . 0.0 111.09 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.923 HG22 ' HA ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -91.68 38.73 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.377 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.656 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -29.0 144.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER 168.55 -75.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' CD2' ' A' ' 22' ' ' LEU . 6.5 mmt180 -92.32 9.04 35.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.753 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.6 pt -124.39 -46.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.838 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.26 -39.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.6 14.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.73 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.62 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 68.13 44.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 179.994 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.53 -38.32 24.92 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.89 140.45 42.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 0.719 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 48.28 -175.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.587 1.179 . . . . 0.0 110.22 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.0 ttt180 -179.04 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.407 1.067 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.0 mt -76.52 -55.02 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.79 -94.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.115 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.55 83.73 2.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.479 0.752 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -130.52 -45.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.562 1.164 . . . . 0.0 109.408 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.2 mt -53.15 -57.7 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.81 -127.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.24 110.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.46 -3.52 57.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.862 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -136.09 -42.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.604 0.826 . . . . 0.0 109.212 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -71.38 -32.78 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.911 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -109.37 -34.5 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.78 -44.89 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.579 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -48.65 -46.23 30.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.072 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.862 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.1 Cg_endo -75.03 -39.2 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 16' ' ' LYS . 4.2 t -107.03 57.0 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.776 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.8 m -54.34 -155.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.615 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.7 tt 87.49 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.221 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.547 ' N ' HD23 ' A' ' 22' ' ' LEU . 10.3 mmm-85 48.15 12.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.776 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.3 pt -137.06 -50.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.832 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.53 -25.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.66 25.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -116.82 -56.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.748 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 70.94 47.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.376 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 -179.934 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.75 -150.24 9.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.51 -177.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 0.714 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -83.6 73.25 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.509 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 176.24 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.937 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.19 -54.93 6.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.04 -92.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.412 1.07 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.6 77.54 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.8 tptt -144.4 -71.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.19 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 mt -61.95 -68.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -89.24 -129.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.603 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 45.8 109.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.561 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 100.18 -3.96 57.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.833 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -136.19 -42.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 4.5 mtmm -71.49 -32.71 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.76 -34.48 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.6 m-85 -84.87 -44.54 13.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.602 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -48.85 -44.87 31.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.833 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.94 -38.47 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.899 HG22 ' HA ' ' A' ' 17' ' ' TYR . 4.8 t -89.61 59.43 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.944 HG11 ' HA ' ' A' ' 28' ' ' ALA . 2.4 m -53.42 -158.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.62 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.8 tt 91.37 128.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 -179.888 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 2.2 mmm180 47.85 13.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.367 1.042 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.709 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.4 pt -136.5 -49.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.934 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.52 -29.83 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.647 1.217 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 41.91 19.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.601 1.188 . . . . 0.0 110.298 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.934 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.56 -55.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.944 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 63.68 36.49 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.63 1.206 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.915 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.18 75.65 0.23 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.557 1.161 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.72 109.03 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 0.766 . . . . 0.0 109.222 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.65 -165.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.384 1.052 . . . . 0.0 110.323 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.498 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.2 ptm180 -175.62 -36.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -75.94 -53.03 9.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -46.37 -101.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.366 1.041 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.05 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -133.31 -50.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.2 mt -52.77 -57.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.226 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.65 -126.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.73 110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.519 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.09 -3.14 58.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.798 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -135.3 -42.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 0.791 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -70.92 -33.69 70.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -108.19 -34.76 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.8 -44.85 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.925 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.578 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -46.99 -46.14 19.86 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.798 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 -38.85 1.39 Allowed 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.428 1.752 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.843 HG22 ' O ' ' A' ' 20' ' ' THR . 0.8 OUTLIER -99.17 69.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -25.91 102.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.657 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.8 tm? -144.49 120.27 10.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.61 1.194 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 46.58 17.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 110.36 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.595 HG13 ' H ' ' A' ' 25' ' ' ILE . 2.0 pt -125.09 -51.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.866 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.15 -37.53 2.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.733 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.03 16.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.866 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.91 -51.67 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 83.77 61.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.581 1.176 . . . . 0.0 110.956 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.426 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.3 mtp85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.09 -20.65 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.56 -36.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HG2' ' NE2' ' A' ' 12' ' ' HIS . 5.7 mtt85 -84.52 67.12 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HD2' ' CG ' ' A' ' 5' ' ' ARG . 16.0 tttm -145.31 -49.07 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -54.36 -58.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.08 -125.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.616 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.25 112.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.928 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 97.26 -2.53 61.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.568 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.2 p -134.75 -45.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 0.734 . . . . 0.0 109.227 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 5.3 mttt -71.3 -29.79 65.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.636 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.89 -37.1 5.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.928 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.7 m-30 -84.72 -71.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.568 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.684 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 17' ' ' TYR . 1.1 tt 98.65 -79.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -80.78 9.28 6.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.68 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.44 -44.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.45 -24.11 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.98 -52.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.327 1.017 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.684 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.79 35.24 13.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.364 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.45 -32.06 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.3 36.9 0.07 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.406 1.066 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -147.38 25.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.774 . . . . 0.0 110.221 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -133.07 -48.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.0 mt -55.79 -59.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.4 -126.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.332 1.02 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.27 112.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.992 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.13 -5.53 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.54 1.15 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.598 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -131.47 -45.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.62 0.835 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 13.2 tttp -69.35 -29.36 67.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.198 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.5 -35.72 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.191 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.992 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -86.65 -75.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.598 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.616 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 97.86 -76.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.04 8.1 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.2 pt -132.36 -43.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.835 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -109.32 -24.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.225 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.71 -51.53 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 64.04 35.54 10.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.27 -17.55 64.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -35.94 3.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.386 1.054 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.92 27.05 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.417 0.716 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.15 -49.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.389 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.62 -59.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.54 -126.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 109.226 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.77 111.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.369 1.043 . . . . 0.0 109.638 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.59 -4.6 59.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.622 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -133.21 -45.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 8.8 tptt -69.17 -30.14 68.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.62 -35.78 5.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.4 m-30 -88.73 -75.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.622 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.91 0 O-C-N 124.521 1.138 . . . . 0.0 111.085 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.619 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.06 -78.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.92 8.56 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.67 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -131.24 -44.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.836 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.22 -23.64 4.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.62 17.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.83 -52.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.746 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.32 35.46 12.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 17.8 ttm105 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.47 -55.51 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.675 1.235 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.08 -120.12 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.417 1.073 . . . . 0.0 110.999 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -84.84 115.58 22.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 0.713 . . . . 0.0 110.362 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' CD ' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.5 -54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 ' CD ' ' A' ' 9' ' ' LYS . 46.6 mt -48.0 -55.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -84.91 -127.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.611 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.61 112.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.551 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.995 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.79 -6.29 60.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.419 1.074 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.608 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -130.97 -45.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 2.4 tptt -68.95 -29.34 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.635 1.209 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.34 -35.96 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.995 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.9 m-85 -86.48 -75.87 0.37 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.608 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.762 ' O ' HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER 96.71 -77.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -79.3 7.49 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.676 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -130.48 -44.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.831 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.66 -24.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.7 17.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.69 -51.98 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.576 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 61.62 35.21 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.914 0 O-C-N 124.504 1.127 . . . . 0.0 111.063 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.14 -9.99 20.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.82 -56.7 0.75 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -83.08 50.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -117.21 -48.13 2.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.624 1.203 . . . . 0.0 109.22 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -52.8 -55.28 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.602 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.25 -127.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.372 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.608 ' CE1' ' HZ1' ' A' ' 16' ' ' LYS . 0.1 OUTLIER 47.51 111.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.711 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.001 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.66 -5.34 60.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.612 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -131.16 -45.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.469 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 20.4 tttm -68.68 -29.64 68.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.608 ' HZ1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -111.62 -35.52 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 1.001 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 8.0 m-85 -86.46 -76.17 0.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.088 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.803 HG21 ' CA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.568 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER 157.97 -77.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.104 . . . . 0.0 109.388 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 3.05 48.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -118.24 -45.76 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.34 1.025 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.29 -31.73 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.38 16.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -121.29 -50.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.803 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 70.39 45.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.571 1.169 . . . . 0.0 111.045 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.92 -6.39 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.67 11.37 53.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 2.3 mmp_? -130.61 31.47 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.502 0.766 . . . . 0.0 110.266 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 -50.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.44 -58.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.03 -126.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.13 112.4 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.99 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.74 -6.43 60.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.604 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -130.96 -45.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.204 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 4.1 tptt -69.18 -29.56 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -110.94 -35.7 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.99 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -86.92 -75.76 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.604 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.666 ' CG2' ' N ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.666 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 64.9 mt 98.81 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -106.38 -0.61 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.483 HG13 ' HA ' ' A' ' 21' ' ' VAL . 4.9 pt -125.89 -40.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.837 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.78 -25.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 42.89 20.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.07 -54.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 60.67 34.22 20.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.08 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.608 0.242 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.93 -5.55 31.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.92 13.27 46.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -152.32 50.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -126.85 -44.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt -51.02 -54.67 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.844 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -160.03 173.29 16.07 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.24 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -165.07 -60.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.24 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -70.13 -13.34 69.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 18' ' ' GLY . 3.7 p -61.85 -36.75 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -20.32 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.727 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.11 -41.98 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 1.154 ' CZ ' HD22 ' A' ' 22' ' ' LEU . 2.9 m-85 -83.82 -72.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.914 ' O ' HG23 ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.528 0.889 0 O-C-N 124.399 1.062 . . . . 0.0 111.093 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.99 HG21 ' HB2' ' A' ' 28' ' ' ALA . 2.9 m . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.154 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 1.3 mp 69.04 138.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.612 1.195 . . . . 0.0 109.237 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 50.69 8.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.227 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 ' HA ' ' A' ' 21' ' ' VAL . 6.9 pt -140.39 -51.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.937 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.75 -29.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 109.196 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.07 19.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.937 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -121.99 -54.97 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.99 ' HB2' HG21 ' A' ' 21' ' ' VAL . . . 65.11 37.24 6.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.565 1.166 . . . . 0.0 111.072 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.02 -54.38 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.24 -94.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -154.85 73.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 -43.33 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.677 ' O ' HD13 ' A' ' 24' ' ' ILE . 42.3 mt -46.84 -52.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.981 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . . . -163.29 178.44 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.029 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.46 -42.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.624 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.029 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.56 -16.8 72.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.373 1.045 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.618 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.9 p -66.94 -33.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.702 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.88 -41.45 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.59 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 6.6 m-85 -83.42 -74.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.618 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.915 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.725 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 154.59 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -86.73 8.26 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.981 ' CD1' ' HB2' ' A' ' 11' ' ' ALA . 1.2 pt -121.72 -49.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.596 1.185 . . . . 0.0 109.431 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.851 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.97 -34.51 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.01 15.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 110.303 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.851 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.2 mt -121.31 -51.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.609 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 65.27 40.06 5.06 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 110.942 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB2' ' CG ' ' A' ' 9' ' ' LYS . 5.1 mt -76.87 -11.42 59.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 109.197 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.63 -52.74 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.57 33.71 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.303 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -127.59 -45.0 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -46.01 -52.24 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -164.96 174.0 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.077 ' CE1' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -147.37 -42.41 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.034 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.99 -15.47 74.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.545 HG23 ' C ' ' A' ' 18' ' ' GLY . 6.3 p -66.76 -34.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -21.3 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.682 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.66 -41.49 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 5.8 m-85 -81.39 -71.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.545 ' C ' HG23 ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.078 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.693 HG11 ' CA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.077 HD11 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -177.87 113.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 47.28 15.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.587 HG13 ' H ' ' A' ' 25' ' ' ILE . 7.2 pt -125.7 -49.19 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.865 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.04 -38.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.671 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.63 18.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.29 -51.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 86.0 63.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.33 -6.68 44.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.14 5.14 39.62 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.97 62.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 0.74 . . . . 0.0 110.241 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -124.14 -43.7 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mt -47.12 -51.52 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.47 176.88 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.039 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.7 -43.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.683 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.039 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.06 -15.82 76.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.636 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.8 p -67.16 -34.08 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -60.41 -22.43 63.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.17 -41.57 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 14.2 m-85 -83.25 -73.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.418 1.074 . . . . 0.0 111.001 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.636 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 10.1 tp 98.1 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 5.4 mmm180 -80.56 8.88 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.678 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.8 pt -131.71 -44.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.11 -24.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.85 -51.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.703 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.1 35.71 12.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.78 -22.74 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.08 -129.24 2.48 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.539 1.149 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.76 112.13 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.386 0.697 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.1 -49.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.794 HG22 HG22 ' A' ' 24' ' ' ILE . 39.9 mt -50.85 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 24' ' ' ILE . . . -153.81 174.96 13.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.997 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -155.33 -39.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.698 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.997 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.81 -18.52 70.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.549 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.9 p -65.79 -34.8 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.94 -22.36 65.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -41.11 4.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.594 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 3.1 m-85 -82.78 -75.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.668 ' O ' HG13 ' A' ' 21' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.725 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.631 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.12 -77.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -80.2 8.55 7.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.037 HG21 ' HB2' ' A' ' 11' ' ' ALA . 2.0 pt -131.55 -43.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.834 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.3 -24.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.834 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.99 -51.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.725 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 62.96 36.03 12.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.948 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.85 -21.37 57.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.54 -62.36 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.71 87.29 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -129.61 -43.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.66 -52.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.8 176.92 8.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.041 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.65 -43.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.616 1.197 . . . . 0.0 109.541 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.041 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.97 -15.86 76.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.634 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 2.9 p -66.93 -34.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -22.18 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.23 -41.65 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 15.6 m-85 -83.39 -73.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.634 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.43 1.082 . . . . 0.0 111.036 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.62 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 165.17 -69.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -98.13 8.04 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.063 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 pt -124.41 -45.49 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.839 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.41 -38.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.07 14.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.593 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 69.94 40.86 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.665 1.228 . . . . 0.0 110.937 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -14.85 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.0 -49.42 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 61.0 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -52.58 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.391 1.057 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.959 ' O ' HD12 ' A' ' 22' ' ' LEU . 44.0 mt -50.73 -56.01 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.813 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . . . -154.51 171.52 19.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.99 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -158.02 -39.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.117 . . . . 0.0 109.698 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.99 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.26 -18.81 70.75 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.557 1.161 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.787 HG21 HG12 ' A' ' 24' ' ' ILE . 2.4 p -64.91 -34.91 73.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.401 0.707 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -22.67 66.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.387 1.054 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.694 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.23 -40.76 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 4.1 m-85 -82.22 -74.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.532 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.142 . . . . 0.0 110.99 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.957 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER 152.3 -71.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.8 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.9 mmm180 -89.17 3.39 52.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.787 HG12 HG21 ' A' ' 14' ' ' VAL . 1.2 pt -121.2 -49.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.863 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.53 -33.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.03 17.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.55 -53.08 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 61.62 33.96 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.43 1.081 . . . . 0.0 111.071 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.07 -9.98 45.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.29 -52.27 3.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.403 1.065 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 59.85 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.267 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -126.17 -43.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.3 mt -49.37 -53.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.008 ' HB2' HD12 ' A' ' 24' ' ' ILE . . . -157.8 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.016 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.24 -41.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.693 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.016 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.21 -17.71 71.07 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.957 HG21 HG13 ' A' ' 21' ' ' VAL . 1.8 p -67.12 -34.39 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -61.12 -22.84 65.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.24 -41.34 4.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.607 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 6.3 m-85 -82.91 -73.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.005 HG12 ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.781 ' O ' HG12 ' A' ' 24' ' ' ILE . 18.6 tp -69.19 147.69 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 46.72 29.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.008 HD12 ' HB2' ' A' ' 11' ' ' ALA . 31.3 pt -150.5 -56.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.005 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -123.17 -30.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.686 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 43.22 19.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.614 1.196 . . . . 0.0 110.357 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.63 -53.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 84.94 57.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 111.101 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.46 -9.84 38.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.45 -3.32 68.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.616 1.197 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 11.57 38.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -127.01 -44.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.285 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.6 mt -48.73 -53.79 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' A' ' 24' ' ' ILE . . . -157.61 176.68 12.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.199 . . . . 0.0 109.31 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.012 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.15 -41.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.573 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.012 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.16 -17.59 71.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.385 1.053 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.97 HG21 HG13 ' A' ' 21' ' ' VAL . 1.8 p -66.97 -34.49 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -61.08 -23.1 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.665 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.01 -41.42 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.603 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 3.8 m-85 -82.75 -73.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.602 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.004 HG12 ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.76 ' O ' HG12 ' A' ' 24' ' ' ILE . 7.5 mt -69.68 147.53 50.46 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 47.31 28.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.05 HD12 ' HB2' ' A' ' 11' ' ' ALA . 32.5 pt -149.86 -56.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.004 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -123.07 -29.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.87 19.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.859 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.35 -53.33 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 85.21 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.8 mt -65.3 -22.43 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.58 1.175 . . . . 0.0 109.212 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 0.0 111.014 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HG2' ' NE2' ' A' ' 12' ' ' HIS . 16.6 mtm180 -84.64 56.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.304 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.59 -46.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 22' ' ' LEU . 38.0 mt -54.19 -58.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -88.38 -125.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.68 111.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.56 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 95.93 -3.42 64.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.782 HG21 ' H ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -135.75 -45.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -69.78 -30.51 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HZ1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -110.89 -35.59 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.5 m-85 -85.66 -74.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.597 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.079 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.686 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER 171.74 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' HG21 ' A' ' 14' ' ' VAL . 6.0 mmt85 -98.13 6.58 47.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.645 1.216 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.529 HG12 ' CG2' ' A' ' 14' ' ' VAL . 2.4 pt -121.64 -44.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.855 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -115.14 -39.32 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.575 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.97 14.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.77 -49.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.627 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.38 35.83 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.4 mt -76.25 -54.41 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.35 -94.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' NH2' ' HE3' ' A' ' 15' ' ' LYS . 1.2 mmp_? -135.43 78.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -127.54 -50.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.385 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.6 HG22 HD21 ' A' ' 22' ' ' LEU . 36.3 mt -55.84 -59.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.602 1.189 . . . . 0.0 109.357 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.599 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -71.59 -121.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.153 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.24 112.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.709 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.958 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.22 -4.67 58.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.575 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -134.11 -46.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 2.7 ttpt -70.3 -30.61 67.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.401 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.85 -35.96 6.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.958 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 7.6 m-85 -86.25 -72.38 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.575 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.728 HG23 ' H ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.9 tm? 175.68 112.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' LEU . 2.6 mmm180 47.36 15.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.586 HG13 ' H ' ' A' ' 25' ' ' ILE . 8.5 pt -125.49 -49.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.86 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.64 -37.88 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.728 ' H ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.28 18.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.26 -52.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 85.37 36.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.371 1.044 . . . . 0.0 109.345 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.65 -5.89 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.84 60.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.479 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 6.4 ptp85 -154.83 40.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 110.23 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -126.12 -47.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.404 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -54.39 -57.85 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.05 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.613 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.17 -125.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.88 112.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.573 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.947 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 97.95 -3.24 60.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.602 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.6 p -134.68 -45.85 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 35.3 mttt -69.31 -30.24 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.626 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.36 -35.83 5.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.947 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 9.8 m-85 -87.94 -75.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.602 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.677 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER 98.19 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.06 9.58 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.664 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.75 -44.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.825 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.25 -24.19 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.12 -51.8 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.677 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.77 35.08 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.528 0.902 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.31 -7.98 35.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.08 15.32 81.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.97 47.06 2.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 0.779 . . . . 0.0 110.336 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -131.01 -46.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 22' ' ' LEU . 36.4 mt -55.35 -59.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.7 -125.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.89 112.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.607 1.192 . . . . 0.0 109.604 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.976 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.38 -4.05 59.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.033 ' CG2' HD13 ' A' ' 24' ' ' ILE . 1.7 p -133.44 -45.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 0.783 . . . . 0.0 109.364 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 7.2 mptt -70.34 -29.26 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.66 -36.25 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.976 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 4.2 m-85 -85.99 -73.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.588 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.85 HG11 ' HA ' ' A' ' 28' ' ' ALA . 1.5 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.648 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER 95.37 127.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.386 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 10' ' ' ILE . 3.9 mmt180 48.61 11.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.353 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.033 HD13 ' CG2' ' A' ' 14' ' ' VAL . 6.2 pt -133.71 -50.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.833 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -120.56 -26.7 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.12 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -117.0 -56.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.85 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 68.4 46.09 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.426 1.079 . . . . 0.0 111.08 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 46.4 ttt85 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.82 -6.0 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.08 -43.19 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.628 1.205 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.505 ' HG2' ' CD2' ' A' ' 12' ' ' HIS . 3.4 ttm180 -84.15 42.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 26.9 tptt -147.8 -46.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.26 -56.93 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.207 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.34 -126.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.38 112.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.958 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.09 -4.11 60.59 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.964 HG21 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -133.64 -46.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 0.833 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 16.5 tptt -69.73 -30.92 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.88 -35.84 6.05 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.958 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 4.7 m-85 -87.72 -73.01 0.5 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 111.083 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.621 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 25' ' ' ILE . 29.3 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.763 ' O ' HG12 ' A' ' 24' ' ' ILE . 11.3 tp 56.85 145.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 52.54 12.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.964 HD12 HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -151.57 -59.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.22 -28.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.401 1.063 . . . . 0.0 109.244 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.77 22.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -118.79 -55.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.636 1.21 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.803 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . 65.3 40.62 4.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.505 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.24 -54.96 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.215 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.485 ' O ' ' CZ ' ' A' ' 8' ' ' ARG . . . -37.23 -94.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.564 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 10.1 mmp_? -135.24 79.99 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 0.722 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.9 tptt -128.87 -45.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.09 -58.04 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.1 -126.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.23 110.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.536 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.95 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.33 -3.66 58.16 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.468 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.89 -42.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.595 0.821 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 5.7 tptm -71.54 -33.14 68.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.183 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.71 -34.48 6.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.95 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.621 1.201 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.785 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 tp 97.93 -74.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.06 5.21 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.45 -43.31 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.49 -24.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER 44.74 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.79 -51.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.22 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.785 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.98 35.37 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.38 -54.96 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.37 -93.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.574 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 1.3 mpt_? -135.73 81.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -130.04 -44.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.92 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.5 -57.67 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.93 -127.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.608 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.36 110.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 109.584 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.95 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.27 -3.5 58.18 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.467 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.96 -42.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -33.13 69.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -34.5 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.95 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 4.5 m-85 -85.05 -45.23 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.634 HG23 HD23 ' A' ' 22' ' ' LEU . 1.1 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.634 HD23 HG23 ' A' ' 21' ' ' VAL . 27.5 mt 94.03 -72.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -78.75 4.49 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.633 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.85 -43.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -107.2 -24.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.389 1.056 . . . . 0.0 109.234 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.65 17.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.389 1.055 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.04 -51.66 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.621 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.55 35.44 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.3 ptt180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.6 mt -76.39 -54.65 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.48 -94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.446 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.46 82.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 8.4 tptt -130.78 -44.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -53.47 -57.56 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.205 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.73 -126.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.653 1.221 . . . . 0.0 109.374 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.57 110.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.675 1.235 . . . . 0.0 109.655 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.954 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.1 -3.24 58.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.451 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.9 -42.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.386 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 2.1 tppt? -71.27 -32.86 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.43 -34.75 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.662 1.227 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.954 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.46 -44.78 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 25' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.928 HG11 ' HA ' ' A' ' 28' ' ' ALA . 2.4 m . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.654 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER 88.42 130.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.38 13.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.761 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.2 pt -137.82 -50.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.93 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.52 -29.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 41.85 19.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 1.05 . . . . 0.0 110.25 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.93 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.77 -54.77 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.928 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 63.66 35.77 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.074 179.917 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.4 ttt180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.41 -55.02 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.32 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -135.79 81.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.252 -179.887 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.41 -45.08 1.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.163 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.27 -57.7 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.26 110.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.557 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.936 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.42 -3.51 57.95 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.595 1.185 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.461 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.95 -42.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -33.44 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.61 -34.83 6.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.897 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.936 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.9 m-85 -84.22 -44.88 13.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 97.7 -74.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -79.92 7.37 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.607 HG13 ' HA ' ' A' ' 21' ' ' VAL . 2.7 pt -132.87 -43.22 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.811 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.601 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.52 17.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.811 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.01 -51.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.24 35.18 12.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.161 . . . . 0.0 111.045 -179.973 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.1 ttm180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.1 mt -76.15 -52.15 10.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -35.78 -93.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.574 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 2.2 mmt85 -137.93 70.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.7 tptt -121.78 -50.18 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.03 -56.46 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.604 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.83 -127.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.191 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.604 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.86 110.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.49 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.949 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.87 -3.75 58.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.518 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -135.33 -43.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.412 0.713 . . . . 0.0 109.388 179.852 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -34.41 71.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.48 -34.59 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.949 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 5.9 m-85 -85.7 -44.7 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.765 ' O ' HG13 ' A' ' 21' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.419 1.075 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.658 ' O ' HG12 ' A' ' 24' ' ' ILE . 1.5 mt -140.18 124.7 18.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 5.7 mmm180 49.28 13.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.08 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 22' ' ' LEU . 1.2 pt -121.64 -54.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.874 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.59 -36.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.936 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 41.92 17.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.874 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.31 -50.81 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 65.37 36.13 7.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.582 1.176 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 9.2 mtm180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.4 mt -75.55 -54.96 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -43.51 -95.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.577 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 7.8 ptt180 -152.36 74.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.05 -44.58 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 38.5 mt -53.55 -57.42 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.606 1.192 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.46 110.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.938 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.13 -3.56 58.4 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.436 1.085 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.459 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -135.99 -42.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -70.9 -33.56 70.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.612 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.41 -34.82 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.938 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.5 m-85 -84.26 -44.86 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.776 HG23 ' HB ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.63 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -64.71 14.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.682 ' H ' ' C ' ' A' ' 21' ' ' VAL . 7.0 ptm180 -141.21 5.11 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.612 ' CG1' ' HA ' ' A' ' 21' ' ' VAL . 8.2 pt -142.7 -42.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.826 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.42 -27.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.63 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.5 19.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -118.88 -52.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.92 35.84 10.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.878 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.513 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mtm180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.27 -52.46 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -44.21 -99.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -129.04 85.37 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 5.8 tmtt? -125.72 -48.18 1.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -44.65 -51.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.66 176.22 9.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.614 1.196 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.024 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.05 -43.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.075 . . . . 0.0 109.542 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.024 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.63 -17.01 74.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.597 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p -66.04 -31.8 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -24.73 67.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.201 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -39.94 5.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.749 ' O ' HD11 ' A' ' 24' ' ' ILE . 3.1 m-85 -81.86 -45.96 14.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.078 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.643 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.574 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER 168.1 -74.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' HD23 ' A' ' 22' ' ' LEU . 1.3 ptp180 -93.32 8.39 40.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.749 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.6 pt -123.91 -46.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.194 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.45 -39.18 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.175 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.76 14.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.065 . . . . 0.0 110.31 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.22 -49.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.61 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.83 42.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.386 1.054 . . . . 0.0 111.087 179.93 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.89 -18.9 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.546 ' HA2' HD12 ' A' ' 10' ' ' ILE . . . 153.13 -20.22 0.74 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.604 1.19 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.37 9.83 12.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.553 0.796 . . . . 0.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 -43.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.546 HD12 ' HA2' ' A' ' 7' ' ' GLY . 44.1 mt -45.78 -51.99 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.381 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.11 176.74 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.025 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.29 -42.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.025 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.64 -17.03 74.14 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p -65.99 -31.8 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.527 0.78 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -61.9 -24.66 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.68 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.21 -39.89 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.218 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.59 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 4.6 m-85 -82.11 -45.93 14.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.626 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 2.5 tp 97.96 -74.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 5.19 12.85 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.41 -43.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.82 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.32 -24.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.238 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.23 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.82 -51.6 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.51 35.39 11.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.366 1.041 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -76.05 -19.55 58.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.9 -53.58 0.1 OUTLIER Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.67 98.37 7.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 0.717 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.55 -43.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -45.63 -51.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.29 176.67 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.216 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.026 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.14 -43.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.026 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.51 -17.1 74.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p -66.01 -31.78 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -61.89 -24.73 67.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.02 -39.92 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.77 ' O ' HD11 ' A' ' 24' ' ' ILE . 3.1 m-85 -81.89 -46.03 14.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.642 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.581 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 2.1 tp 169.96 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.0 mmp_? -93.56 9.11 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.77 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.7 pt -124.74 -46.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.369 1.043 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.8 -39.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.24 -179.93 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.581 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.65 14.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.888 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 25' ' ' ILE . 2.9 mt -121.5 -49.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.622 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.86 39.67 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.399 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.153 . . . . 0.0 110.953 179.955 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.5 mt -73.79 -50.67 19.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.74 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.596 1.185 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -147.03 74.5 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.348 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.18 -43.43 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 42.6 mt -46.8 -52.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.63 177.05 9.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.037 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.31 -43.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.037 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.47 -16.82 75.0 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.3 p -66.39 -31.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -62.02 -23.98 66.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.679 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.0 -40.02 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.604 ' HB3' HD12 ' A' ' 24' ' ' ILE . 3.1 m-30 -81.33 -45.69 15.81 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.914 HG11 ' HA ' ' A' ' 28' ' ' ALA . 5.0 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.588 ' HG ' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER 83.52 132.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 47.89 13.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 1.069 . . . . 0.0 110.352 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.7 pt -138.88 -50.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.928 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.83 -30.37 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.373 1.046 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.12 18.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.928 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.83 -54.14 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.914 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 70.24 37.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.25 -8.69 41.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.41 -55.53 2.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.424 1.077 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -86.76 46.36 1.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.591 0.818 . . . . 0.0 110.249 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -125.51 -43.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -46.51 -51.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.12 176.76 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.034 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.4 -43.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.034 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.45 -16.93 74.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.601 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.6 p -65.92 -31.89 55.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.592 0.819 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -24.65 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.671 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.08 -40.04 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.865 ' HB3' HD13 ' A' ' 24' ' ' ILE . 3.1 m-85 -81.69 -45.59 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.924 0 O-C-N 124.451 1.095 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.663 ' O ' HG12 ' A' ' 24' ' ' ILE . 5.1 tp -138.64 122.41 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.6 mmm180 48.99 15.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.865 HD13 ' HB3' ' A' ' 17' ' ' TYR . 1.4 pt -122.55 -53.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.878 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.76 -35.54 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.64 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 41.22 17.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.625 1.203 . . . . 0.0 110.356 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.878 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.23 -51.58 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 72.15 47.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.948 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.29 -54.8 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.19 -93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -136.77 79.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.389 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -127.6 -42.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 -179.87 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.8 mt -46.02 -51.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.4 176.65 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.035 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.06 -43.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.035 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.59 -17.02 74.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.6 p -65.94 -31.95 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 0.815 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -61.7 -24.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.679 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.1 -40.18 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 3.1 m-85 -81.54 -45.49 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.4 1.062 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.948 HG12 ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.476 ' O ' HG12 ' A' ' 24' ' ' ILE . 2.2 mm? -71.71 151.27 43.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 47.36 22.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.901 HD11 ' HA ' ' A' ' 21' ' ' VAL . 10.0 pt -144.18 -55.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.948 ' CD1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -122.32 -28.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER 42.82 20.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.859 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -120.04 -54.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.204 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.72 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 83.97 44.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.504 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.8 mt -76.2 -54.97 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.6 1.188 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.72 -93.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.485 1.116 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.15 79.15 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 0.704 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -127.34 -42.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.903 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 mt -46.02 -51.52 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.52 176.58 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.031 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.031 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.47 -16.88 74.86 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.7 p -66.17 -32.05 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 0.709 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -61.29 -25.22 66.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.913 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.83 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -107.27 -40.37 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.413 1.07 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 13.1 m-85 -81.23 -44.96 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.71 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 16' ' ' LYS . 3.6 tt 98.88 -78.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 9.78 6.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.662 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.92 -44.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.826 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.61 -23.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.51 17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.92 -51.85 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.71 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.22 35.14 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.967 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.84 -29.63 70.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.22 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.18 17.19 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 0.808 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -144.43 -67.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -55.52 -59.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.485 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -95.76 -177.1 3.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.235 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -179.25 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.888 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.235 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -69.53 -14.89 70.1 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' A' ' 18' ' ' GLY . 14.6 p -61.76 -33.59 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -62.82 -23.4 67.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.693 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.48 -39.95 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.872 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.586 ' O ' HD11 ' A' ' 24' ' ' ILE . 2.9 m-85 -82.72 -46.61 12.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.746 HG23 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.746 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER 97.01 -82.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.211 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HG2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.17 28.42 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.596 HG13 ' HA ' ' A' ' 21' ' ' VAL . 3.9 pt -150.79 -44.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.9 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.841 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -113.23 -25.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CD ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.78 17.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -119.88 -51.91 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.69 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 69.19 39.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.93 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.56 -30.13 70.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 39.29 0.03 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.479 1.112 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -145.24 17.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.619 0.835 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.36 -44.1 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.08 -52.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.46 176.47 8.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.04 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.72 -43.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.582 -179.92 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.04 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.42 -16.72 75.35 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.545 1.153 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.594 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.8 p -66.15 -32.35 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -61.17 -24.63 66.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.07 -40.27 5.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.581 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 6.1 m-85 -80.52 -45.04 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.636 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.933 HD13 ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER 169.87 -66.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.218 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.933 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.53 7.68 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -124.4 -44.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -114.66 -39.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.29 14.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.63 -49.0 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 70.01 43.29 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.172 . . . . 0.0 111.01 179.995 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.38 -54.9 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.98 -93.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -136.94 79.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.3 tptt -127.49 -43.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.9 mt -46.14 -51.49 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.399 1.062 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.56 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 1.03 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.623 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 1.03 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.55 -16.85 74.77 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.7 p -66.09 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -24.92 66.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.67 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.83 -40.18 5.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 109.378 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 9.9 m-85 -80.92 -45.06 17.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.838 HG23 ' N ' ' A' ' 22' ' ' LEU . 1.4 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.838 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER 97.98 -79.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 13.48 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.216 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.666 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pt -134.11 -45.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.841 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -111.07 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.07 17.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.1 -51.76 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.664 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 68.81 45.07 1.03 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.448 1.093 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.546 1.154 . . . . 0.0 110.911 -179.904 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.508 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.8 ptp180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.35 -55.15 5.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.05 -94.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -135.24 82.53 1.96 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.18 -44.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -53.55 -57.68 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.04 -127.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.09 110.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.645 1.215 . . . . 0.0 109.651 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.935 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.57 -3.87 57.89 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.591 1.182 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -135.31 -42.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.897 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -33.03 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.197 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.39 -34.99 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.935 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.2 m-30 -84.79 -45.39 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.656 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER 168.55 -75.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' CD2' ' A' ' 22' ' ' LEU . 6.5 mmt180 -92.32 9.04 35.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.753 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.6 pt -124.39 -46.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.838 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.26 -39.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.6 14.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.73 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.62 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 68.13 44.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 179.994 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.0 ttt180 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.0 mt -76.52 -55.02 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.79 -94.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.115 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.55 83.73 2.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.479 0.752 . . . . 0.0 110.323 179.941 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -130.52 -45.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.562 1.164 . . . . 0.0 109.408 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.2 mt -53.15 -57.7 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.81 -127.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.24 110.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.46 -3.52 57.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.45 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -136.09 -42.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.604 0.826 . . . . 0.0 109.212 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -32.78 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.572 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.37 -34.5 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.78 -44.89 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.464 ' HA2' ' CD1' ' A' ' 25' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.072 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.776 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.8 m . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.615 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.7 tt 87.49 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.221 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.547 ' N ' HD23 ' A' ' 22' ' ' LEU . 10.3 mmm-85 48.15 12.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.776 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.3 pt -137.06 -50.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.832 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.53 -25.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.66 25.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -116.82 -56.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.748 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 70.94 47.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.376 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 -179.934 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.509 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.632 0.253 . . . . 0.0 110.402 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.19 -54.93 6.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.04 -92.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.412 1.07 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.6 77.54 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.8 tptt -144.4 -71.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.19 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 mt -61.95 -68.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.603 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -89.24 -129.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.603 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 45.8 109.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.561 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 100.18 -3.96 57.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.456 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -136.19 -42.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -71.49 -32.71 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.76 -34.48 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.6 m-85 -84.87 -44.54 13.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.944 HG11 ' HA ' ' A' ' 28' ' ' ALA . 2.4 m . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.62 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.8 tt 91.37 128.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 -179.888 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 2.2 mmm180 47.85 13.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.367 1.042 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.709 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.4 pt -136.5 -49.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.934 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.52 -29.83 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.647 1.217 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 41.91 19.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.601 1.188 . . . . 0.0 110.298 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.934 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.56 -55.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.944 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 63.68 36.49 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.63 1.206 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.915 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.498 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.2 ptm180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -75.94 -53.03 9.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -46.37 -101.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.366 1.041 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.05 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -133.31 -50.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.2 mt -52.77 -57.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.226 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.65 -126.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.73 110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.519 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.09 -3.14 58.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.483 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -135.3 -42.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 0.791 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -70.92 -33.69 70.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -34.76 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.8 -44.85 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.925 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.917 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 26' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.657 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.8 tm? -144.49 120.27 10.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.61 1.194 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 46.58 17.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 110.36 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.595 HG13 ' H ' ' A' ' 25' ' ' ILE . 2.0 pt -125.09 -51.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.866 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.15 -37.53 2.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.733 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.03 16.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.866 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.91 -51.67 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 83.77 61.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.581 1.176 . . . . 0.0 110.956 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.67 -45.04 0.29 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 6' ' ' LEU . 16.2 mt -40.69 147.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.419 ' HB2' ' NH2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -159.01 39.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.251 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.3 mtp85 175.77 -32.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.608 1.193 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.673 HD12 HD22 ' A' ' 3' ' ' LEU . 19.4 mt -66.09 -20.65 66.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.56 -36.53 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HG2' ' NE2' ' A' ' 12' ' ' HIS . 5.7 mtt85 -84.52 67.12 9.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 110.289 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HD2' ' CG ' ' A' ' 5' ' ' ARG . 16.0 tttm -145.31 -49.07 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.222 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -54.36 -58.53 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.08 -125.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.616 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.25 112.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.928 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 97.26 -2.53 61.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 19' ' ' PRO . 2.2 p -134.75 -45.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.448 0.734 . . . . 0.0 109.227 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 5.3 mttt -71.3 -29.79 65.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.636 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.89 -37.1 5.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.93 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.7 m-30 -84.72 -71.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 143.92 -45.49 0.87 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.93 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.1 Cg_endo -74.96 -90.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.507 1.793 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.849 HG23 HD11 ' A' ' 24' ' ' ILE . 11.0 t 173.61 -26.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.684 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -50.55 -171.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 17' ' ' TYR . 1.1 tt 98.65 -79.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 4' ' ' ARG . 13.9 mmm180 -80.78 9.28 6.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.849 HD11 HG23 ' A' ' 20' ' ' THR . 1.5 pt -131.44 -44.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.45 -24.11 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.323 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.98 -52.05 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.327 1.017 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.684 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.79 35.24 13.94 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.364 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.501 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 72.4 mtt180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 6' ' ' LEU . . . 59.12 -165.61 8.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.685 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.6 pt? -125.85 -47.06 1.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 0.776 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.52 36.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -35.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 3' ' ' LEU . 20.1 mt -66.45 -32.06 73.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.3 36.9 0.07 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.406 1.066 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 1' ' ' ARG . 80.2 mtt180 -147.38 25.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 0.774 . . . . 0.0 110.221 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -133.07 -48.98 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.0 mt -55.79 -59.87 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.4 -126.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.332 1.02 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.27 112.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.577 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.992 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.13 -5.53 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.54 1.15 . . . . 0.0 111.071 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.7 ' HB ' HG21 ' A' ' 20' ' ' THR . 0.4 OUTLIER -131.47 -45.77 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.62 0.835 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 13.2 tttp -69.35 -29.36 67.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.198 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.5 -35.72 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.191 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.02 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 2.9 m-85 -86.65 -75.77 0.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.187 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.756 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 116.65 -33.68 4.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.02 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.1 Cg_endo -75.03 -23.63 13.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.79 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.736 HG22 HD11 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -29.71 -50.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.456 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -51.43 -172.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.616 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 97.86 -76.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.04 8.1 7.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.736 HD11 HG22 ' A' ' 20' ' ' THR . 2.2 pt -132.36 -43.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.835 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -109.32 -24.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 110.225 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.71 -51.53 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 64.04 35.54 10.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.604 ' H1 ' ' HB2' ' A' ' 9' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.587 0.232 . . . . 0.0 110.41 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.03 -39.6 0.56 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.3 mt -137.06 -94.83 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.708 0.887 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 174.47 117.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 165.02 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.62 1.2 . . . . 0.0 110.333 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.27 -17.55 64.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.572 1.17 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.89 -35.94 3.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.386 1.054 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.92 27.05 1.91 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.417 0.716 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HB2' ' H1 ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -128.15 -49.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.389 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mt -55.62 -59.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.54 -126.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 109.226 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.77 111.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.369 1.043 . . . . 0.0 109.638 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.59 -4.6 59.87 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.622 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -133.21 -45.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 8.8 tptt -69.17 -30.14 68.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.62 -35.78 5.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.056 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.4 m-30 -88.73 -75.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.622 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . 127.74 -44.88 1.19 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.521 1.138 . . . . 0.0 111.085 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.098 ' O ' ' N ' ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.02 -91.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.394 1.734 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.593 HG23 ' N ' ' A' ' 21' ' ' VAL . 11.7 t 37.28 -59.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.098 ' N ' ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -50.47 -172.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.365 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.619 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.06 -78.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.378 1.049 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.92 8.56 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.355 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.67 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -131.24 -44.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.836 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.22 -23.64 4.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.62 17.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.83 -52.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.746 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.32 35.46 12.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -99.15 -176.48 31.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.76 99.97 8.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -158.62 -60.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 17.8 ttm105 170.24 -29.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.47 -55.51 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.675 1.235 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.08 -120.12 0.57 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.417 1.073 . . . . 0.0 110.999 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -84.84 115.58 22.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 0.713 . . . . 0.0 110.362 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' CD ' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -137.5 -54.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG13 ' CD ' ' A' ' 9' ' ' LYS . 46.6 mt -48.0 -55.71 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -84.91 -127.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.611 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.61 112.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.086 . . . . 0.0 109.551 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.995 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.79 -6.29 60.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.419 1.074 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.63 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 0.5 OUTLIER -130.97 -45.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 0.8 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 16' ' ' LYS . 2.4 tptt -68.95 -29.34 67.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.635 1.209 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.34 -35.96 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.995 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.9 m-85 -86.48 -75.87 0.37 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.782 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 116.05 -32.12 5.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.989 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.3 Cg_endo -74.99 -21.92 15.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -41.02 80.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.455 1.097 . . . . 0.0 110.388 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.762 ' O ' HD12 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -50.01 -172.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER 96.71 -77.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.223 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -79.3 7.49 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.676 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.6 pt -130.48 -44.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.831 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.66 -24.92 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.7 17.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.69 -51.98 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.576 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 61.62 35.21 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.914 0 O-C-N 124.504 1.127 . . . . 0.0 111.063 179.824 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.22 150.67 19.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ARG . 20.6 mt -85.62 -75.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.736 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.408 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 3.6 mtt180 44.24 -168.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.86 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.7 mt -64.14 -9.99 20.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.82 -56.7 0.75 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.566 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -83.08 50.74 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.378 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' CG ' ' A' ' 4' ' ' ARG . 9.8 tptt -117.21 -48.13 2.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.624 1.203 . . . . 0.0 109.22 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -52.8 -55.28 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.602 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.25 -127.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.372 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.608 ' CE1' ' HZ1' ' A' ' 16' ' ' LYS . 0.1 OUTLIER 47.51 111.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.711 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.001 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.66 -5.34 60.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 111.015 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.621 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 0.5 OUTLIER -131.16 -45.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 20.4 tttm -68.68 -29.64 68.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.608 ' HZ1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -111.62 -35.52 5.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.001 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 8.0 m-85 -86.46 -76.17 0.36 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.44 1.088 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.772 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 115.86 -32.59 5.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.992 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.0 Cg_endo -75.0 -20.97 16.34 Favored 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.549 1.815 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -40.2 76.67 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.803 HG21 ' CA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -39.67 148.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.568 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER 157.97 -77.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.467 1.104 . . . . 0.0 109.388 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 3.05 48.25 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -118.24 -45.76 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.34 1.025 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.29 -31.73 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.38 16.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.852 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -121.29 -50.92 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.803 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 70.39 45.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.571 1.169 . . . . 0.0 111.045 179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.554 ' H1 ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.629 0.252 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.08 -42.08 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.405 1.066 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.61 152.0 26.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 109.342 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.85 100.73 11.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 110.239 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 173.44 -29.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.554 HD13 ' H1 ' ' A' ' 1' ' ' ARG . 15.7 mt -69.92 -6.39 32.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.67 11.37 53.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 12' ' ' HIS . 2.3 mmp_? -130.61 31.47 4.54 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.502 0.766 . . . . 0.0 110.266 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.86 -50.4 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.44 -58.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 109.39 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.03 -126.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.13 112.4 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.99 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.74 -6.43 60.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.627 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 0.4 OUTLIER -130.96 -45.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 109.204 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 4.1 tptt -69.18 -29.56 67.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -110.94 -35.7 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.99 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -86.92 -75.76 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.781 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 115.9 -32.21 5.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.988 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.98 -20.92 16.43 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.544 1.812 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -42.0 77.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.778 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -44.81 176.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.666 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 64.9 mt 98.81 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -106.38 -0.61 24.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.483 HG13 ' HA ' ' A' ' 21' ' ' VAL . 4.9 pt -125.89 -40.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.837 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -109.78 -25.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.367 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 42.89 20.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.07 -54.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 60.67 34.22 20.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 111.08 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 4' ' ' ARG . . . 112.55 112.07 3.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 4' ' ' ARG . 5.5 mp 40.13 -97.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.712 ' HG2' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER 83.61 81.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 110.344 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.44 -36.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.93 -5.55 31.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.92 13.27 46.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -152.32 50.28 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -126.85 -44.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.712 HD11 ' HG2' ' A' ' 4' ' ' ARG . 40.5 mt -51.02 -54.67 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.222 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.844 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -160.03 173.29 16.07 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.24 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -165.07 -60.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.614 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.24 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -70.13 -13.34 69.91 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.058 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 18' ' ' GLY . 3.7 p -61.85 -36.75 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -20.32 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.727 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.11 -41.98 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.154 ' CZ ' HD22 ' A' ' 22' ' ' LEU . 2.9 m-85 -83.82 -72.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.914 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 147.58 -46.29 0.72 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.399 1.062 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.873 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -75.08 -89.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 19' ' ' PRO . 1.2 t 169.23 -34.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.175 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.99 HG21 ' HB2' ' A' ' 28' ' ' ALA . 2.9 m -57.89 -146.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.154 HD22 ' CZ ' ' A' ' 17' ' ' TYR . 1.3 mp 69.04 138.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.612 1.195 . . . . 0.0 109.237 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 50.69 8.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.227 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 ' HA ' ' A' ' 21' ' ' VAL . 6.9 pt -140.39 -51.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.937 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.75 -29.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.41 1.069 . . . . 0.0 109.196 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.07 19.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.937 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -121.99 -54.97 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.99 ' HB2' HG21 ' A' ' 21' ' ' VAL . . . 65.11 37.24 6.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.565 1.166 . . . . 0.0 111.072 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.69 -138.64 14.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -149.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 0.713 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -47.92 142.87 4.58 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.471 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -179.94 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 110.338 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.02 -54.38 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.24 -94.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.416 1.072 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -154.85 73.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.9 -43.33 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.677 ' O ' HD13 ' A' ' 24' ' ' ILE . 42.3 mt -46.84 -52.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.981 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . . . -163.29 178.44 8.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.029 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.46 -42.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.624 -179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.029 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.56 -16.8 72.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.373 1.045 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.618 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 1.9 p -66.94 -33.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.702 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.88 -41.45 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.015 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 6.6 m-85 -83.42 -74.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.64 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.61 -42.06 1.84 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.494 1.121 . . . . 0.0 111.055 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.015 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.0 Cg_endo -75.11 -29.19 8.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.576 ' CG2' ' HB ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -27.04 -48.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.369 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.614 ' O ' ' CB ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -37.62 158.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.565 1.166 . . . . 0.0 109.183 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.725 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 154.59 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -86.73 8.26 23.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.981 ' CD1' ' HB2' ' A' ' 11' ' ' ALA . 1.2 pt -121.72 -49.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.596 1.185 . . . . 0.0 109.431 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.851 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.97 -34.51 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.556 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.01 15.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 110.303 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.851 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.2 mt -121.31 -51.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.609 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 65.27 40.06 5.06 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 109.374 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 110.942 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.565 ' O ' HD12 ' A' ' 3' ' ' LEU . . . 157.2 -157.01 27.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD12 ' O ' ' A' ' 2' ' ' GLY . 0.7 OUTLIER -163.56 49.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.484 ' CB ' ' HB2' ' A' ' 9' ' ' LYS . 1.8 mpt_? -148.02 -174.7 4.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.358 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 175.79 18.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.35 1.031 . . . . 0.0 110.359 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HB2' ' CG ' ' A' ' 9' ' ' LYS . 5.1 mt -76.87 -11.42 59.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 109.197 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.63 -52.74 0.76 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.441 1.088 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' CB ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.57 33.71 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 110.303 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -127.59 -45.0 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.177 . . . . 0.0 109.346 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -46.01 -52.24 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB3' HG11 ' A' ' 14' ' ' VAL . . . -164.96 174.0 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.06 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.077 ' CE1' HD11 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -147.37 -42.41 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 109.606 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.034 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.99 -15.47 74.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.562 HG23 ' C ' ' A' ' 19' ' ' PRO . 6.3 p -66.76 -34.94 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -21.3 64.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.682 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.66 -41.49 4.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.964 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 5.8 m-85 -81.39 -71.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.608 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 141.02 -44.57 1.02 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.964 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.2 Cg_endo -75.09 -88.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.573 1.828 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 19' ' ' PRO . 2.2 t 171.83 -23.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.693 HG11 ' CA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -23.15 137.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.369 1.043 . . . . 0.0 109.218 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.077 HD11 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -177.87 113.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 47.28 15.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.587 HG13 ' H ' ' A' ' 25' ' ' ILE . 7.2 pt -125.7 -49.19 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.865 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.04 -38.87 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.671 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.63 18.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.231 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.29 -51.5 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 86.0 63.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.448 ' O ' ' CD1' ' A' ' 10' ' ' ILE . . . 105.28 56.11 0.7 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.9 HD13 ' HA2' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -162.02 115.3 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.25 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 3' ' ' LEU . 1.3 ttm180 -162.81 -40.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.33 -6.68 44.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.9 ' HA2' HD13 ' A' ' 3' ' ' LEU . . . 68.14 5.14 39.62 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.97 62.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 0.74 . . . . 0.0 110.241 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -124.14 -43.7 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 2' ' ' GLY . 44.0 mt -47.12 -51.52 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.47 176.88 8.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.039 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.7 -43.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.683 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.039 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.06 -15.82 76.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.64 ' HB ' HG21 ' A' ' 20' ' ' THR . 2.8 p -67.16 -34.08 67.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 0.772 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -60.41 -22.43 63.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.17 -41.57 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.066 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 14.2 m-85 -83.25 -73.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.418 1.074 . . . . 0.0 111.001 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.636 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . 131.29 -44.22 1.23 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.066 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.1 Cg_endo -74.99 -73.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 19' ' ' PRO . 4.6 t 55.74 17.72 2.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -51.38 -171.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 10.1 tp 98.1 -78.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 5.4 mmm180 -80.56 8.88 6.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.678 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.8 pt -131.71 -44.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.11 -24.18 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.73 17.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.85 -51.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.703 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.1 35.71 12.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.395 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' CZ ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.95 -122.86 2.28 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.768 HD23 ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 49.69 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.275 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -128.51 2.8 5.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.376 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER 158.8 -22.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.416 1.073 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.78 -22.74 67.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.768 ' HA3' HD23 ' A' ' 3' ' ' LEU . . . -141.08 -129.24 2.48 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.539 1.149 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.76 112.13 24.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.386 0.697 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.1 -49.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.794 HG22 HG22 ' A' ' 24' ' ' ILE . 39.9 mt -50.85 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 24' ' ' ILE . . . -153.81 174.96 13.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.997 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -155.33 -39.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.698 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.997 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.81 -18.52 70.03 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.102 . . . . 0.0 111.01 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.599 ' HB ' ' CG2' ' A' ' 20' ' ' THR . 1.9 p -65.79 -34.8 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.94 -22.36 65.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.78 -41.11 4.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.053 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.1 m-85 -82.78 -75.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.668 ' O ' HG13 ' A' ' 21' ' ' VAL . . . 116.45 -40.69 2.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.053 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.7 Cg_endo -74.92 -17.07 20.08 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.501 1.79 . . . . 0.0 111.066 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.603 ' O ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -47.4 -10.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.725 HG21 ' HA ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -47.62 -171.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.631 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER 98.12 -77.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 mmt-85 -80.2 8.55 7.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.422 1.076 . . . . 0.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.037 HG21 ' HB2' ' A' ' 11' ' ' ALA . 2.0 pt -131.55 -43.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.834 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.3 -24.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.834 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.99 -51.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.725 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 62.96 36.03 12.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.948 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.67 133.46 2.84 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pp -94.09 95.62 9.12 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 0.751 . . . . 0.0 109.239 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 4.3 mtt-85 -93.67 -72.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 154.23 17.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.355 1.034 . . . . 0.0 110.367 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.85 -21.37 57.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.332 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.54 -62.36 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.71 87.29 6.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -129.61 -43.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.66 -52.04 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.8 176.92 8.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.041 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.65 -43.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.616 1.197 . . . . 0.0 109.541 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.041 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.97 -15.86 76.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.636 ' HB ' HG21 ' A' ' 20' ' ' THR . 2.9 p -66.93 -34.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -22.18 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 109.373 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.23 -41.65 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.065 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 15.6 m-85 -83.39 -73.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.634 ' H ' ' HA ' ' A' ' 14' ' ' VAL . . . 131.53 -44.28 1.22 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.43 1.082 . . . . 0.0 111.036 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.065 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.3 Cg_endo -75.01 -73.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.859 HG22 ' O ' ' A' ' 19' ' ' PRO . 4.5 t 56.14 17.32 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.62 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -29.74 144.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.547 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER 165.17 -69.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -98.13 8.04 45.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.063 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 pt -124.41 -45.49 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.839 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -113.41 -38.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.07 14.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.69 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.593 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 69.94 40.86 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.665 1.228 . . . . 0.0 110.937 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.508 ' O ' ' C ' ' A' ' 3' ' ' LEU . . . 116.21 -40.91 2.26 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' GLY . 5.0 mt -32.18 97.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 0.811 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 3.4 mmt-85 -54.83 89.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 14.7 ptt180 159.26 21.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.605 1.19 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.8 -14.85 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.0 -49.42 1.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 61.0 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -52.58 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.391 1.057 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.959 ' O ' HD12 ' A' ' 22' ' ' LEU . 44.0 mt -50.73 -56.01 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.813 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . . . -154.51 171.52 19.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.99 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -158.02 -39.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.117 . . . . 0.0 109.698 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.99 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.26 -18.81 70.75 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.557 1.161 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.787 HG21 HG12 ' A' ' 24' ' ' ILE . 2.4 p -64.91 -34.91 73.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.401 0.707 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -22.67 66.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.387 1.054 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.694 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.23 -40.76 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.047 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 4.1 m-85 -82.22 -74.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.697 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 117.14 -38.78 2.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.526 1.142 . . . . 0.0 110.99 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.047 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.95 -28.98 8.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 20' ' ' THR . 0.9 OUTLIER -64.17 61.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.957 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -37.31 153.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER 152.3 -71.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.8 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.9 mmm180 -89.17 3.39 52.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.787 HG12 HG21 ' A' ' 14' ' ' VAL . 1.2 pt -121.2 -49.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.863 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.53 -33.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.361 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.03 17.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.424 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.55 -53.08 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.495 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 61.62 33.96 17.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.43 1.081 . . . . 0.0 111.071 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.89 -133.04 7.04 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -130.79 161.7 31.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.645 0.85 . . . . 0.0 109.375 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 49.67 -92.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 0.5 OUTLIER 161.77 -24.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.614 1.196 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.07 -9.98 45.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.29 -52.27 3.37 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.403 1.065 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 59.85 5.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.267 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -126.17 -43.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.3 mt -49.37 -53.7 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.008 ' HB2' HD12 ' A' ' 24' ' ' ILE . . . -157.8 176.69 12.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.016 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.24 -41.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.693 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.016 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.21 -17.71 71.07 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.957 HG21 HG13 ' A' ' 21' ' ' VAL . 1.8 p -67.12 -34.39 69.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 0.788 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -61.12 -22.84 65.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.667 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.24 -41.34 4.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.025 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 6.3 m-85 -82.91 -73.84 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.652 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.6 -41.06 2.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.025 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.2 Cg_endo -75.05 -31.74 5.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.569 1.826 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.898 ' O ' HD11 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -63.39 66.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.38 1.05 . . . . 0.0 110.396 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.005 HG12 ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -127.18 1.45 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.209 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.781 ' O ' HG12 ' A' ' 24' ' ' ILE . 18.6 tp -69.19 147.69 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 46.72 29.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.249 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.008 HD12 ' HB2' ' A' ' 11' ' ' ALA . 31.3 pt -150.5 -56.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.005 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -123.17 -30.15 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.686 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 43.22 19.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.614 1.196 . . . . 0.0 110.357 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -119.63 -53.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 84.94 57.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 111.101 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.469 ' HG3' HG23 ' A' ' 24' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.699 ' O ' HD23 ' A' ' 3' ' ' LEU . . . -108.71 -76.94 0.96 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.539 1.15 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 2' ' ' GLY . 0.2 OUTLIER 60.67 139.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.583 0.813 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -146.51 -78.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER 167.23 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.642 1.213 . . . . 0.0 110.353 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -66.46 -9.84 38.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.45 -3.32 68.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.616 1.197 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 11.57 38.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 4.7 tptt -127.01 -44.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.619 1.2 . . . . 0.0 109.285 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 41.6 mt -48.73 -53.79 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' A' ' 24' ' ' ILE . . . -157.61 176.68 12.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.199 . . . . 0.0 109.31 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.012 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -149.15 -41.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.573 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.012 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -81.16 -17.59 71.52 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.385 1.053 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.97 HG21 HG13 ' A' ' 21' ' ' VAL . 1.8 p -66.97 -34.49 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -61.08 -23.1 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.665 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.01 -41.42 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.031 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.8 m-85 -82.75 -73.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 1.19 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.652 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.41 -41.23 2.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.031 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.3 Cg_endo -75.0 -31.59 6.07 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.605 1.845 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.903 ' O ' HD11 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -63.58 66.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.004 HG12 ' CG1' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -127.29 1.88 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.76 ' O ' HG12 ' A' ' 24' ' ' ILE . 7.5 mt -69.68 147.53 50.46 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 47.31 28.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.05 HD12 ' HB2' ' A' ' 11' ' ' ALA . 32.5 pt -149.86 -56.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.004 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -123.07 -29.78 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.061 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.69 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.87 19.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.859 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.35 -53.33 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.232 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 85.21 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.38 43.92 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.749 ' HB2' HD12 ' A' ' 6' ' ' LEU . 2.5 mm? 41.73 90.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 0.784 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.69 73.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -179.63 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.61 1.194 . . . . 0.0 110.374 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.749 HD12 ' HB2' ' A' ' 3' ' ' LEU . 18.8 mt -65.3 -22.43 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.58 1.175 . . . . 0.0 109.212 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.89 -35.19 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 0.0 111.014 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HG2' ' NE2' ' A' ' 12' ' ' HIS . 16.6 mtm180 -84.64 56.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.304 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.59 -46.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.59 ' O ' HD12 ' A' ' 22' ' ' LEU . 38.0 mt -54.19 -58.62 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -88.38 -125.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.584 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.68 111.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 109.56 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 95.93 -3.42 64.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.782 HG21 ' H ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -135.75 -45.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -69.78 -30.51 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HZ1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -110.89 -35.59 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.056 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 3.5 m-85 -85.66 -74.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.671 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 119.65 -40.4 2.23 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.056 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.1 Cg_endo -74.99 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -30.74 83.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.707 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -29.27 142.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.402 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER 171.74 -70.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.782 ' H ' HG21 ' A' ' 14' ' ' VAL . 6.0 mmt85 -98.13 6.58 47.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.645 1.216 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.529 HG12 ' CG2' ' A' ' 14' ' ' VAL . 2.4 pt -121.64 -44.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.855 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -115.14 -39.32 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.575 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.97 14.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.77 -49.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.627 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.38 35.83 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.262 -0.274 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.438 ' C ' HD12 ' A' ' 3' ' ' LEU . . . -92.37 -134.5 6.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 2' ' ' GLY . 3.4 mp -148.6 147.89 29.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 0.747 . . . . 0.0 109.224 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 39.13 -153.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -179.29 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.213 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.4 mt -76.25 -54.41 6.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.35 -94.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' NH2' ' HE3' ' A' ' 15' ' ' LYS . 1.2 mmp_? -135.43 78.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -127.54 -50.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.385 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.6 HG22 HD21 ' A' ' 22' ' ' LEU . 36.3 mt -55.84 -59.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.602 1.189 . . . . 0.0 109.357 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.599 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -71.59 -121.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.153 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.599 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 48.24 112.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.709 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.958 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.22 -4.67 58.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.575 ' HA ' ' H ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -134.11 -46.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.557 0.798 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 2.7 ttpt -70.3 -30.61 67.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.401 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.85 -35.96 6.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.057 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 7.6 m-85 -86.25 -72.38 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.72 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 123.29 -36.1 3.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.057 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.2 Cg_endo -74.94 -77.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.756 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.3 OUTLIER -23.09 82.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.36 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.728 HG23 ' H ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -31.22 145.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.9 tm? 175.68 112.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' LEU . 2.6 mmm180 47.36 15.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.586 HG13 ' H ' ' A' ' 25' ' ' ILE . 8.5 pt -125.49 -49.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.86 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.64 -37.88 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.728 ' H ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.28 18.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.86 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.5 mt -120.26 -52.09 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 85.37 36.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.371 1.044 . . . . 0.0 109.345 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.412 ' HA3' ' CD ' ' A' ' 9' ' ' LYS . . . -107.56 152.22 16.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.596 1.185 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' O ' ' C ' ' A' ' 4' ' ' ARG . 76.0 mt -154.36 79.1 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.16 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.565 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 33.45 89.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.255 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.65 -36.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.65 -5.89 32.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.283 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 19.84 60.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.415 1.072 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 6.4 ptp85 -154.83 40.9 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 0.73 . . . . 0.0 110.23 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' CD ' ' HA3' ' A' ' 2' ' ' GLY . 47.4 tttm -126.12 -47.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.404 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -54.39 -57.85 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.381 1.05 . . . . 0.0 109.322 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.613 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.17 -125.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.613 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.88 112.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.573 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.947 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 97.95 -3.24 60.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.621 HG23 ' CG2' ' A' ' 20' ' ' THR . 1.6 p -134.68 -45.85 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 35.3 mttt -69.31 -30.24 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.626 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.36 -35.83 5.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.022 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 9.8 m-85 -87.94 -75.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.077 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.618 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 122.92 -44.11 1.36 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.022 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.6 Cg_endo -74.95 -34.02 4.2 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.563 1.822 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER 46.69 -76.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.35 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.742 ' N ' ' O ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -51.57 -171.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.623 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER 98.19 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.06 9.58 6.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.664 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.5 pt -131.75 -44.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.825 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.25 -24.19 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.49 17.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.825 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.12 -51.8 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.677 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.77 35.08 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.382 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.528 0.902 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.62 -154.46 6.87 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 111.038 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.54 162.29 13.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 0.726 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -89.28 77.39 7.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER 171.22 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.315 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.7 mt -68.31 -7.98 35.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.08 15.32 81.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.97 47.06 2.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 0.779 . . . . 0.0 110.336 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -131.01 -46.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 22' ' ' LEU . 36.4 mt -55.35 -59.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.614 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.7 -125.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 109.396 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.89 112.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.607 1.192 . . . . 0.0 109.604 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.976 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.38 -4.05 59.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.033 ' CG2' HD13 ' A' ' 24' ' ' ILE . 1.7 p -133.44 -45.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 0.783 . . . . 0.0 109.364 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 7.2 mptt -70.34 -29.26 65.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -111.66 -36.25 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.014 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 4.2 m-85 -85.99 -73.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.721 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 123.41 -36.69 2.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.432 1.083 . . . . 0.0 110.955 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.014 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.6 Cg_endo -75.07 -73.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.462 1.77 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.818 ' O ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -23.51 89.73 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.462 1.101 . . . . 0.0 110.381 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.85 HG11 ' HA ' ' A' ' 28' ' ' ALA . 1.5 m -43.16 -161.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.648 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.6 OUTLIER 95.37 127.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.386 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 10' ' ' ILE . 3.9 mmt180 48.61 11.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.353 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.033 HD13 ' CG2' ' A' ' 14' ' ' VAL . 6.2 pt -133.71 -50.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.833 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -120.56 -26.7 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.12 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.833 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -117.0 -56.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.85 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 68.4 46.09 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.426 1.079 . . . . 0.0 111.08 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.11 66.35 2.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.626 HD22 HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -112.02 4.66 18.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 85.74 4.77 0.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 46.4 ttt85 177.41 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.191 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.626 HD12 HD22 ' A' ' 3' ' ' LEU . 14.8 mt -76.82 -6.0 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.08 -43.19 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.628 1.205 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.505 ' HG2' ' CD2' ' A' ' 12' ' ' HIS . 3.4 ttm180 -84.15 42.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 26.9 tptt -147.8 -46.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.7 mt -52.26 -56.93 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.207 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.34 -126.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 47.38 112.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.958 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.09 -4.11 60.59 Favored Glycine 0 CA--C 1.532 1.146 0 O-C-N 124.474 1.109 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.964 HG21 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -133.64 -46.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.617 0.833 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 16.5 tptt -69.73 -30.92 68.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.88 -35.84 6.05 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.016 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 4.7 m-85 -87.72 -73.01 0.5 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.118 . . . . 0.0 111.083 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.656 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . 126.46 -40.69 1.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 1.016 ' HD2' ' HB3' ' A' ' 17' ' ' TYR . 18.3 Cg_endo -75.07 -80.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.402 1.738 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 20' ' ' THR . 0.7 OUTLIER -23.55 80.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.095 . . . . 0.0 110.442 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 25' ' ' ILE . 29.3 m -79.83 -127.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.763 ' O ' HG12 ' A' ' 24' ' ' ILE . 11.3 tp 56.85 145.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 52.54 12.02 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.964 HD12 HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -151.57 -59.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.22 -28.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.401 1.063 . . . . 0.0 109.244 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.77 22.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -118.79 -55.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.636 1.21 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.803 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . 65.3 40.62 4.75 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.151 . . . . 0.0 110.972 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.68 -65.69 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.574 1.171 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 40.56 47.18 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -160.24 -154.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.426 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 178.67 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 110.32 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.24 -54.96 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.215 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' O ' ' CZ ' ' A' ' 8' ' ' ARG . . . -37.23 -94.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.564 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 10.1 mmp_? -135.24 79.99 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 0.722 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.9 tptt -128.87 -45.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.22 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -54.09 -58.04 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.1 -126.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.23 110.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.536 179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.95 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.33 -3.66 58.16 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.812 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.89 -42.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.595 0.821 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 5.7 tptm -71.54 -33.14 68.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.183 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.569 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -108.71 -34.48 6.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.95 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.9 m-85 -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.621 1.201 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.18 -45.19 20.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.812 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.0 Cg_endo -74.93 -33.66 4.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.864 HG22 ' HA ' ' A' ' 17' ' ' TYR . 1.3 t -84.88 54.45 3.08 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.785 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -50.03 -173.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.581 1.175 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.624 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 1.4 tp 97.93 -74.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.06 5.21 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.45 -43.31 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.49 -24.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER 44.74 17.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.276 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.79 -51.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.22 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.785 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.98 35.37 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.247 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.426 1.079 . . . . 0.0 110.973 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.13 72.47 0.04 OUTLIER Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.9 mt -127.42 178.52 6.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 0.802 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.5 -154.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -178.94 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.38 -54.96 6.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.18 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.37 -93.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.574 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 1.3 mpt_? -135.73 81.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 110.332 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -130.04 -44.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.92 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.5 -57.67 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.608 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.93 -127.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.608 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.36 110.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 109.584 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.95 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.27 -3.5 58.18 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.524 1.14 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.814 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.96 -42.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -71.48 -33.13 69.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.572 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -108.78 -34.5 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.95 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 4.5 m-85 -85.05 -45.23 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.593 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.18 -45.16 20.71 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.814 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.12 -33.69 4.28 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 110.958 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.868 HG22 ' HA ' ' A' ' 17' ' ' TYR . 1.3 t -84.92 54.92 3.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.634 HG23 HD23 ' A' ' 22' ' ' LEU . 1.1 m -50.39 -172.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.66 1.225 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.634 HD23 HG23 ' A' ' 21' ' ' VAL . 27.5 mt 94.03 -72.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -78.75 4.49 13.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.633 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.85 -43.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -107.2 -24.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.389 1.056 . . . . 0.0 109.234 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.65 17.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.389 1.055 . . . . 0.0 110.288 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.04 -51.66 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.621 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.55 35.44 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.0 -133.87 11.7 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.121 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.6 175.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.2 -153.38 0.12 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.53 1.144 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.507 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.3 ptt180 -179.53 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.6 mt -76.39 -54.65 6.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.48 -94.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.446 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.46 82.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 8.4 tptt -130.78 -44.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.6 mt -53.47 -57.56 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.205 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.73 -126.87 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.653 1.221 . . . . 0.0 109.374 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.57 110.34 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.675 1.235 . . . . 0.0 109.655 179.917 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.954 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.1 -3.24 58.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.858 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.9 -42.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.386 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 2.1 tppt? -71.27 -32.86 69.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.953 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -109.43 -34.75 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.662 1.227 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.954 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.46 -44.78 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.581 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -48.81 -45.92 31.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.573 1.171 . . . . 0.0 110.989 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.858 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.12 -40.77 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.553 1.818 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.953 HG22 ' O ' ' A' ' 16' ' ' LYS . 5.1 t -106.05 61.15 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.494 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.928 HG11 ' HA ' ' A' ' 28' ' ' ALA . 2.4 m -54.83 -155.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.654 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER 88.42 130.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.38 13.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.761 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.2 pt -137.82 -50.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.93 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.52 -29.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 41.85 19.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.38 1.05 . . . . 0.0 110.25 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.93 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.77 -54.77 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.928 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 63.66 35.77 11.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 111.074 179.917 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.69 -108.46 0.23 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.418 1.074 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.73 -49.14 8.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -53.34 162.9 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.4 ttt180 178.14 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.9 mt -76.41 -55.02 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.32 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -135.79 81.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.252 -179.887 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.41 -45.08 1.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 109.163 -179.94 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.27 -57.7 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.26 110.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.557 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.936 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.42 -3.51 57.95 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.595 1.185 . . . . 0.0 110.958 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.917 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.95 -42.69 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -71.02 -33.44 70.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 109.24 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.61 -34.83 6.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.897 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.936 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.9 m-85 -84.22 -44.88 13.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.508 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -49.5 -50.18 30.87 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.936 ' O ' HD11 ' A' ' 24' ' ' ILE . 18.3 Cg_endo -75.09 -38.96 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.582 1.833 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.52 ' C ' ' O ' ' A' ' 19' ' ' PRO . 1.6 t 28.64 41.32 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -52.3 -173.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER 97.7 -74.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -79.92 7.37 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.936 HD11 ' O ' ' A' ' 19' ' ' PRO . 2.7 pt -132.87 -43.22 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.811 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.79 -24.32 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.601 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.52 17.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.811 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -120.01 -51.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.24 35.18 12.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.161 . . . . 0.0 111.045 -179.973 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.604 ' H2 ' HD13 ' A' ' 6' ' ' LEU . 60.3 mtt180 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.64 65.25 0.18 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.904 ' HB2' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -145.88 -170.22 3.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.597 0.822 . . . . 0.0 109.263 179.874 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -84.11 49.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.228 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 4.1 ttm180 175.52 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.904 HD12 ' HB2' ' A' ' 3' ' ' LEU . 12.1 mt -76.15 -52.15 10.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -35.78 -93.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.574 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 2.2 mmt85 -137.93 70.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.7 tptt -121.78 -50.18 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.4 mt -53.03 -56.46 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.604 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.83 -127.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.191 -179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.604 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.86 110.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.49 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.949 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 98.87 -3.75 58.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.93 179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.663 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -135.33 -43.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.412 0.713 . . . . 0.0 109.388 179.852 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -70.71 -34.41 71.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.639 1.212 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -107.48 -34.59 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.949 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 5.9 m-85 -85.7 -44.7 12.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.765 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -45.53 -40.0 8.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.419 1.075 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.706 ' HD2' ' C ' ' A' ' 17' ' ' TYR . 18.2 Cg_endo -75.02 -67.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.43 1.752 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.63 ' OG1' ' O ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -22.32 -60.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -29.56 94.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.572 1.17 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.658 ' O ' HG12 ' A' ' 24' ' ' ILE . 1.5 mt -140.18 124.7 18.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HA ' ' CD ' ' A' ' 26' ' ' ARG . 5.7 mmm180 49.28 13.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.08 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 22' ' ' LEU . 1.2 pt -121.64 -54.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.874 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -110.59 -36.58 2.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 109.359 179.936 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 41.92 17.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.874 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.31 -50.81 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 65.37 36.13 7.05 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.582 1.176 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.13 -111.93 2.97 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.378 1.049 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.785 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -123.47 125.77 45.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.339 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -175.21 -54.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.232 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 9.2 mtm180 -174.0 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.4 mt -75.55 -54.96 6.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -43.51 -95.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.577 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 7.8 ptt180 -152.36 74.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.05 -44.58 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 38.5 mt -53.55 -57.42 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.606 1.192 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.06 -127.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.609 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.46 110.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.938 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.13 -3.56 58.4 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.436 1.085 . . . . 0.0 111.15 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.911 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -135.99 -42.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 2.5 mttt -70.9 -33.56 70.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.612 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.41 -34.82 6.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 1.182 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.938 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.5 m-85 -84.26 -44.86 13.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.51 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -49.43 -50.16 30.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.911 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 -36.29 2.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.405 1.74 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.558 ' CG2' ' CD ' ' A' ' 23' ' ' ARG . 1.2 t 32.66 37.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.776 HG23 ' HB ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -38.72 -29.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.63 ' HA ' ' HA ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -64.71 14.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.682 ' H ' ' C ' ' A' ' 21' ' ' VAL . 7.0 ptm180 -141.21 5.11 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.612 ' CG1' ' HA ' ' A' ' 21' ' ' VAL . 8.2 pt -142.7 -42.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.826 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.42 -27.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.63 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.5 19.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -118.88 -52.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.92 35.84 10.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.528 1.143 . . . . 0.0 109.362 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.878 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.16 -14.99 18.61 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.53 33.74 21.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.668 0.863 . . . . 0.0 109.391 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -107.34 -38.98 5.8 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.513 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mtm180 -177.14 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.27 -52.46 9.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -44.21 -99.49 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -129.04 85.37 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 5.8 tmtt? -125.72 -48.18 1.66 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -44.65 -51.63 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.66 176.22 9.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.614 1.196 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.024 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.05 -43.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.075 . . . . 0.0 109.542 -179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.024 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.63 -17.01 74.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.813 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.5 p -66.04 -31.8 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -61.8 -24.73 67.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.201 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.19 -39.94 5.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.91 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.945 ' HA ' HG22 ' A' ' 20' ' ' THR . 3.1 m-85 -81.86 -45.96 14.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -45.79 -48.16 13.37 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.813 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.13 -31.97 5.61 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.945 HG22 ' HA ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -91.39 37.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 110.407 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.643 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -28.68 144.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.574 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER 168.1 -74.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' HD23 ' A' ' 22' ' ' LEU . 1.3 ptp180 -93.32 8.39 40.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.749 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.6 pt -123.91 -46.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.194 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.45 -39.18 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.175 -179.914 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.76 14.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.065 . . . . 0.0 110.31 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.22 -49.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.61 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.83 42.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.386 1.054 . . . . 0.0 111.087 179.93 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.47 99.9 0.38 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.531 1.144 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.617 ' HB2' HD12 ' A' ' 6' ' ' LEU . 6.1 mt -98.71 -97.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -144.34 53.43 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 2.7 mmt180 158.72 -22.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 110.183 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 HD12 ' HB2' ' A' ' 3' ' ' LEU . 19.8 mt -64.89 -18.9 65.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.546 ' HA2' HD12 ' A' ' 10' ' ' ILE . . . 153.13 -20.22 0.74 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.604 1.19 . . . . 0.0 111.024 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.37 9.83 12.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.553 0.796 . . . . 0.0 110.336 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.69 -43.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.546 HD12 ' HA2' ' A' ' 7' ' ' GLY . 44.1 mt -45.78 -51.99 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.381 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.11 176.74 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.025 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.29 -42.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.025 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.64 -17.03 74.14 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.813 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.5 p -65.99 -31.8 55.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.527 0.78 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 4.4 ttpp -61.9 -24.66 67.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.68 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.21 -39.89 5.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.218 -179.901 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.846 ' HA ' HG22 ' A' ' 20' ' ' THR . 4.6 m-85 -82.11 -45.93 14.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -45.56 -46.69 12.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.813 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.08 -33.45 4.49 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 111.009 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -83.69 53.18 2.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.498 1.123 . . . . 0.0 110.458 179.924 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -49.61 -173.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.626 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 2.5 tp 97.96 -74.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 5.19 12.85 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.357 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.9 pt -130.41 -43.44 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.82 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -108.32 -24.49 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.238 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.8 17.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.23 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.82 -51.6 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . 63.51 35.39 11.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.366 1.041 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.554 ' HG2' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.17 -109.87 0.34 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.576 1.172 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.65 166.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 0.759 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -116.57 -7.25 11.62 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.397 1.06 . . . . 0.0 110.252 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER 154.61 18.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.418 1.074 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' H ' ' H ' ' A' ' 5' ' ' ARG . 4.7 mt -76.05 -19.55 58.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.9 -53.58 0.1 OUTLIER Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.67 98.37 7.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 0.717 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' CD ' ' HA ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -129.55 -43.36 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mt -45.63 -51.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.29 176.67 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.216 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.026 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.14 -43.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.643 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.026 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.51 -17.1 74.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.808 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.5 p -66.01 -31.78 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 3.1 mttt -61.89 -24.73 67.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.02 -39.92 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.94 ' HA ' HG22 ' A' ' 20' ' ' THR . 3.1 m-85 -81.89 -46.03 14.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -45.87 -48.05 13.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.808 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.6 Cg_endo -74.93 -32.85 5.15 Favored 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.94 HG22 ' HA ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -89.8 37.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.373 1.046 . . . . 0.0 110.455 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.642 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -28.37 143.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 124.441 1.088 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.581 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 2.1 tp 169.96 -74.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 2.0 mmp_? -93.56 9.11 38.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.77 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.7 pt -124.74 -46.73 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.369 1.043 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.843 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.8 -39.53 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.24 -179.93 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.581 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.65 14.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.888 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.843 HD12 ' O ' ' A' ' 25' ' ' ILE . 2.9 mt -121.5 -49.5 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.622 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 67.86 39.67 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.399 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.153 . . . . 0.0 110.953 179.955 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.91 -81.67 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.662 HD13 ' H ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -40.19 151.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.383 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 40.05 87.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.327 179.909 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER 166.89 -27.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.273 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.5 mt -73.79 -50.67 19.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.74 -100.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.596 1.185 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -147.03 74.5 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 0.772 . . . . 0.0 110.348 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.18 -43.43 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 5' ' ' ARG . 42.6 mt -46.8 -52.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.63 177.05 9.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.037 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.31 -43.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.037 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.47 -16.82 75.0 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.842 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.3 p -66.39 -31.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 24.2 mttt -62.02 -23.98 66.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.917 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -109.0 -40.02 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.604 ' HB3' HD12 ' A' ' 24' ' ' ILE . 3.1 m-30 -81.33 -45.69 15.81 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -47.57 -48.42 22.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.842 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.8 Cg_endo -74.85 -38.73 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.917 HG22 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -107.71 55.22 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 110.358 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.914 HG11 ' HA ' ' A' ' 28' ' ' ALA . 5.0 m -56.01 -151.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.588 ' HG ' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER 83.52 132.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.306 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 47.89 13.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.41 1.069 . . . . 0.0 110.352 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.8 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.7 pt -138.88 -50.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.928 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.83 -30.37 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.373 1.046 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 42.12 18.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.928 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.83 -54.14 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.914 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 70.24 37.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.37 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.69 172.99 13.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -57.24 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 0.736 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.432 ' H ' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -170.44 79.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.25 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -171.51 -37.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.398 1.061 . . . . 0.0 110.203 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.25 -8.69 41.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.41 -55.53 2.42 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.424 1.077 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -86.76 46.36 1.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.591 0.818 . . . . 0.0 110.249 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -125.51 -43.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.4 mt -46.51 -51.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.12 176.76 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.034 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.4 -43.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.034 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.45 -16.93 74.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.827 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.6 p -65.92 -31.89 55.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.592 0.819 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -61.82 -24.65 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.671 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.08 -40.04 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.872 ' HA ' HG22 ' A' ' 20' ' ' THR . 3.1 m-85 -81.69 -45.59 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -46.94 -49.2 18.01 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.451 1.095 . . . . 0.0 111.094 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.827 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.03 -35.65 2.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.394 1.734 . . . . 0.0 111.009 179.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.872 HG22 ' HA ' ' A' ' 17' ' ' TYR . 0.7 OUTLIER -92.1 30.46 1.43 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -20.52 95.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.663 ' O ' HG12 ' A' ' 24' ' ' ILE . 5.1 tp -138.64 122.41 17.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.6 mmm180 48.99 15.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.865 HD13 ' HB3' ' A' ' 17' ' ' TYR . 1.4 pt -122.55 -53.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.398 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.878 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -111.76 -35.54 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.64 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 41.22 17.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.625 1.203 . . . . 0.0 110.356 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.878 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.23 -51.58 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.646 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 72.15 47.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.948 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -147.6 170.94 28.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.56 -170.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -87.26 -84.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 178.68 -34.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 110.29 -179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.7 mt -76.29 -54.8 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.19 -93.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -136.77 79.97 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.389 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -127.6 -42.98 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.223 -179.87 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.8 mt -46.02 -51.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.4 176.65 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.035 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -147.06 -43.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.035 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.59 -17.02 74.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.816 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.6 p -65.94 -31.95 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 0.815 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 18.9 tttm -61.7 -24.69 66.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.977 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -108.1 -40.18 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 3.1 m-85 -81.54 -45.49 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -46.55 -49.19 16.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.4 1.062 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.816 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.99 -39.54 1.17 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.977 HG22 ' O ' ' A' ' 16' ' ' LYS . 2.8 t -109.42 52.48 0.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.472 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.948 HG12 ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -63.64 2.41 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' A' ' 20' ' ' THR . 2.2 mm? -71.71 151.27 43.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 47.36 22.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 110.338 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.901 HD11 ' HA ' ' A' ' 21' ' ' VAL . 10.0 pt -144.18 -55.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.948 ' CD1' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -122.32 -28.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.727 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER 42.82 20.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.298 179.937 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.859 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -120.04 -54.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.204 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.72 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 83.97 44.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 38.24 -109.77 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 5' ' ' ARG . 1.8 mm? 44.38 40.16 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 67.36 -71.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.504 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 173.47 -31.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' GLY . 12.8 mt -76.2 -54.97 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.6 1.188 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.72 -93.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.485 1.116 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.15 79.15 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 0.704 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -127.34 -42.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.903 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 mt -46.02 -51.52 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.52 176.58 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.031 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.963 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.031 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.47 -16.88 74.86 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.836 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.7 p -66.17 -32.05 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 0.709 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 20.0 mmtt -61.29 -25.22 66.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.83 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -107.27 -40.37 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.413 1.07 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 13.1 m-85 -81.23 -44.96 17.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -48.23 -52.28 18.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.836 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.5 Cg_endo -75.01 -87.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.864 HG23 HD11 ' A' ' 24' ' ' ILE . 10.1 t 178.55 -24.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.71 HG21 ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -50.34 -171.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.362 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 16' ' ' LYS . 3.6 tt 98.88 -78.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 9.78 6.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.864 HD11 HG23 ' A' ' 20' ' ' THR . 1.5 pt -131.92 -44.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.826 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -110.61 -23.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.51 17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.266 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.3 mt -119.92 -51.85 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.71 ' CB ' HG21 ' A' ' 21' ' ' VAL . . . 62.22 35.14 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.967 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.79 116.07 0.01 OUTLIER Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.566 1.166 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.87 -78.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 0.822 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -174.03 34.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.222 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.22 -32.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.84 -29.63 70.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.22 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.18 17.19 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 0.808 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -144.43 -67.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mt -55.52 -59.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.485 ' HB1' ' CG1' ' A' ' 14' ' ' VAL . . . -95.76 -177.1 3.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.235 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -179.25 -59.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 -179.888 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.235 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -69.53 -14.89 70.1 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.761 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 14.6 p -61.76 -33.59 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 34.1 ttmt -62.82 -23.4 67.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.693 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.48 -39.95 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.245 -179.872 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.814 ' HA ' HG22 ' A' ' 20' ' ' THR . 2.9 m-85 -82.72 -46.61 12.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -44.43 -46.75 8.63 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.761 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.95 -34.68 3.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -80.9 53.65 2.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.362 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.746 HG23 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -55.81 -162.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.746 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER 97.01 -82.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 109.211 179.939 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HG2' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -84.17 28.42 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.596 HG13 ' HA ' ' A' ' 21' ' ' VAL . 3.9 pt -150.79 -44.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.352 179.9 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.841 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -113.23 -25.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.942 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' CD ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 43.78 17.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -119.88 -51.91 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.69 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 69.19 39.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.93 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.754 ' C ' HD11 ' A' ' 6' ' ' LEU . 3.0 mtt180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.56 169.83 14.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.97 131.75 20.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 0.819 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 62.65 57.74 1.74 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -177.22 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.206 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.754 HD11 ' C ' ' A' ' 1' ' ' ARG . 18.1 mt -65.56 -30.13 70.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.371 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 39.29 0.03 OUTLIER Glycine 0 CA--C 1.532 1.124 0 O-C-N 124.479 1.112 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -145.24 17.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.619 0.835 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.36 -44.1 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -45.08 -52.01 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.46 176.47 8.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.04 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.72 -43.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.582 -179.92 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.04 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.42 -16.72 75.35 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.545 1.153 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.843 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.8 p -66.15 -32.35 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.331 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 27.6 mmtt -61.17 -24.63 66.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.07 -40.27 5.26 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.922 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.581 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 6.1 m-85 -80.52 -45.04 18.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -50.08 -54.48 18.79 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.843 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.6 Cg_endo -75.05 -41.85 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.559 ' O ' ' C ' ' A' ' 21' ' ' VAL . 5.2 t 24.73 45.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.414 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.636 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -27.86 140.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.933 HD13 ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER 169.87 -66.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.218 179.937 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.933 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -100.53 7.68 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.676 HD11 ' O ' ' A' ' 19' ' ' PRO . 2.1 pt -124.4 -44.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -114.66 -39.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.29 14.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.323 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.63 -49.0 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 70.01 43.29 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.574 1.172 . . . . 0.0 111.01 179.995 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.2 ttp85 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.871 ' O ' HD12 ' A' ' 3' ' ' LEU . . . 146.48 80.99 0.04 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.889 ' HB2' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -159.86 -178.16 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.796 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.8 mmt-85 -82.86 51.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER 176.97 -33.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.325 -179.894 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.889 HD12 ' HB2' ' A' ' 3' ' ' LEU . 12.9 mt -76.38 -54.9 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -36.98 -93.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -136.94 79.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 0.719 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.3 tptt -127.49 -43.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.9 mt -46.14 -51.49 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.399 1.062 . . . . 0.0 109.278 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.56 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 1.03 ' ND1' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -146.94 -43.23 0.18 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.42 1.075 . . . . 0.0 109.623 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 1.03 ' N ' ' ND1' ' A' ' 12' ' ' HIS . . . -80.55 -16.85 74.77 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.84 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 2.7 p -66.09 -32.2 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -61.3 -24.92 66.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.246 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.67 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.83 -40.18 5.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 109.378 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 9.9 m-85 -80.92 -45.06 17.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 14' ' ' VAL . . . -49.25 -53.14 20.67 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.84 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.93 -84.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.541 1.811 . . . . 0.0 111.099 179.913 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.694 ' O ' ' O ' ' A' ' 21' ' ' VAL . 10.3 t 36.67 28.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.42 1.075 . . . . 0.0 110.346 179.91 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.838 HG23 ' N ' ' A' ' 22' ' ' LEU . 1.4 m 35.75 -169.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.838 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER 97.98 -79.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 13.48 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.216 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.666 HG13 ' HA ' ' A' ' 21' ' ' VAL . 1.2 pt -134.11 -45.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.841 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -111.07 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 44.07 17.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -120.1 -51.76 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.664 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . 68.81 45.07 1.03 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.448 1.093 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.546 1.154 . . . . 0.0 110.911 -179.904 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.48 168.24 25.55 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.474 1.108 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.533 HD22 ' HA3' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -133.87 -179.7 5.7 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 124.374 0.69 . . . . 0.0 109.456 179.895 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -68.32 -62.93 1.18 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.508 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.8 ptp180 179.29 -34.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -76.35 -55.15 5.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' HA3' HD22 ' A' ' 3' ' ' LEU . . . -38.05 -94.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -135.24 82.53 1.96 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.498 0.763 . . . . 0.0 110.243 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -130.18 -44.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -53.55 -57.68 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -86.04 -127.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.09 110.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.645 1.215 . . . . 0.0 109.651 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.935 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.57 -3.87 57.89 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.591 1.182 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.836 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -135.31 -42.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.897 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -71.43 -33.03 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.197 -179.897 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -108.39 -34.99 6.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.935 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.2 m-30 -84.79 -45.39 12.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.567 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -47.0 -46.87 20.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.836 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.02 -31.9 5.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.814 . . . . 0.0 111.09 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.923 HG22 ' HA ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -91.68 38.73 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 110.377 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.656 ' HB ' ' CG1' ' A' ' 25' ' ' ILE . 0.5 OUTLIER -29.0 144.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.585 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 0.2 OUTLIER 168.55 -75.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' CD2' ' A' ' 22' ' ' LEU . 6.5 mmt180 -92.32 9.04 35.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.753 HD11 ' O ' ' A' ' 17' ' ' TYR . 1.6 pt -124.39 -46.94 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.838 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.26 -39.18 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.585 ' CG ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 45.6 14.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.272 -179.932 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.0 mt -121.4 -49.73 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.292 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.62 ' N ' HG21 ' A' ' 21' ' ' VAL . . . 68.13 44.05 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 179.994 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.53 -38.32 24.92 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.89 140.45 42.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 0.719 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 48.28 -175.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.587 1.179 . . . . 0.0 110.22 179.944 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 3.0 ttt180 -179.04 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.407 1.067 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.0 mt -76.52 -55.02 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.399 1.062 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -38.79 -94.51 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.115 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.576 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -134.55 83.73 2.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.479 0.752 . . . . 0.0 110.323 179.941 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 1.0 OUTLIER -130.52 -45.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.562 1.164 . . . . 0.0 109.408 179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.2 mt -53.15 -57.7 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.81 -127.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.397 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.61 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.24 110.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 179.919 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.46 -3.52 57.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.862 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -136.09 -42.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.604 0.826 . . . . 0.0 109.212 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -71.38 -32.78 68.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.911 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -109.37 -34.5 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.78 -44.89 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.579 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -48.65 -46.23 30.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.171 . . . . 0.0 111.072 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.862 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.1 Cg_endo -75.03 -39.2 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 16' ' ' LYS . 4.2 t -107.03 57.0 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.776 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.8 m -54.34 -155.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.615 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.7 tt 87.49 131.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.221 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.547 ' N ' HD23 ' A' ' 22' ' ' LEU . 10.3 mmm-85 48.15 12.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.776 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.3 pt -137.06 -50.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.832 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -121.53 -25.18 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 40.66 25.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.6 mt -116.82 -56.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.748 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 70.94 47.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.376 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 -179.934 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.75 -150.24 9.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.51 -177.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 0.714 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -83.6 73.25 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.509 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 176.24 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.937 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.2 mt -76.19 -54.93 6.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -37.04 -92.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.412 1.07 . . . . 0.0 110.964 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.6 77.54 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 2.8 tptt -144.4 -71.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 1.19 . . . . 0.0 109.238 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 mt -61.95 -68.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -89.24 -129.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.603 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 45.8 109.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.561 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 100.18 -3.96 57.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.833 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -136.19 -42.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.328 -179.933 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 4.5 mtmm -71.49 -32.71 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -109.76 -34.48 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 3.6 m-85 -84.87 -44.54 13.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.602 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -48.85 -44.87 31.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.13 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.833 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.94 -38.47 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.899 HG22 ' HA ' ' A' ' 17' ' ' TYR . 4.8 t -89.61 59.43 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.944 HG11 ' HA ' ' A' ' 28' ' ' ALA . 2.4 m -53.42 -158.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.62 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.8 tt 91.37 128.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 -179.888 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 2.2 mmm180 47.85 13.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.367 1.042 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.709 HD11 ' HA ' ' A' ' 21' ' ' VAL . 7.4 pt -136.5 -49.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.934 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.52 -29.83 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.647 1.217 . . . . 0.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER 41.91 19.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.601 1.188 . . . . 0.0 110.298 179.9 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.934 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.7 mt -121.56 -55.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.944 ' HA ' HG11 ' A' ' 21' ' ' VAL . . . 63.68 36.49 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.63 1.206 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 179.915 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.18 75.65 0.23 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.557 1.161 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.72 109.03 3.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 0.766 . . . . 0.0 109.222 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.65 -165.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.384 1.052 . . . . 0.0 110.323 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.498 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 1.2 ptm180 -175.62 -36.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 7' ' ' GLY . 13.1 mt -75.94 -53.03 9.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -46.37 -101.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.366 1.041 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.05 89.84 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -133.31 -50.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.2 mt -52.77 -57.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.439 1.087 . . . . 0.0 109.226 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.607 ' O ' ' O ' ' A' ' 12' ' ' HIS . . . -85.65 -126.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' O ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 46.73 110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.519 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.951 ' C ' ' HB2' ' A' ' 17' ' ' TYR . . . 99.09 -3.14 58.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.923 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.798 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -135.3 -42.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 0.791 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -70.92 -33.69 70.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.379 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -108.19 -34.76 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.951 ' HB2' ' C ' ' A' ' 13' ' ' GLY . 2.8 m-85 -84.8 -44.85 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.925 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.578 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -46.99 -46.14 19.86 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.798 ' HD3' ' O ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 -38.85 1.39 Allowed 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.428 1.752 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.843 HG22 ' O ' ' A' ' 20' ' ' THR . 0.8 OUTLIER -99.17 69.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.733 HG23 ' N ' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -25.91 102.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.657 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.8 tm? -144.49 120.27 10.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.61 1.194 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 46.58 17.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 0.0 110.36 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.595 HG13 ' H ' ' A' ' 25' ' ' ILE . 2.0 pt -125.09 -51.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.866 ' O ' HD12 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -116.15 -37.53 2.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.733 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 42.03 16.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.866 HD12 ' O ' ' A' ' 25' ' ' ILE . 3.4 mt -121.91 -51.67 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 27' ' ' ILE . . . 83.77 61.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.581 1.176 . . . . 0.0 110.956 -179.942 . . . . . . . . 0 0 . 1 stop_ save_