data_2dnv_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 2dnv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -70.17 151.44 45.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -120.86 -39.26 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.27 -175.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.429 ' CD2' HD11 ' A' ' 48' ' ' ILE . 13.3 mt -105.27 118.14 35.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -85.73 -29.59 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -153.89 162.37 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -136.75 122.23 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 6.3 mmt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -122.99 140.27 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 4.6 mt -66.04 93.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.566 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -62.46 147.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 46.1 tptt -106.48 87.45 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.0 p -129.85 174.75 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 85.1 m95 -106.46 99.32 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -90.39 149.96 42.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.47 35.62 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.479 1.778 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' OE2' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.76 -33.69 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.32 -13.89 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.53 -26.15 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.429 HD11 ' CD2' ' A' ' 16' ' ' LEU . 29.7 mm -58.12 104.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.78 8.01 21.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 57.0 m-20 -94.78 33.18 1.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.15 -54.49 2.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.14 -42.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.74 -44.74 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ALA . 20.0 mt -45.65 -39.97 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.72 89.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -73.07 -55.26 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.64 -52.87 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 141.86 58.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -117.3 -36.69 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.46 -174.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 HD11 ' CD2' ' A' ' 57' ' ' PHE . 14.2 mt -107.1 132.01 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -101.31 -26.4 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -153.93 162.46 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -143.03 109.99 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 27.2 m-85 -115.3 142.85 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 5.0 mt -70.91 83.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.572 HG12 ' CZ2' ' A' ' 32' ' ' TRP . 2.8 p -55.55 144.91 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 10.2 tptp -100.86 89.9 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CZ2' HG12 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 108.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 p -138.06 162.18 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.548 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 86.0 m95 -105.76 98.48 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.12 151.38 37.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.6 36.77 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -50.9 -38.04 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -16.9 32.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -102.89 -33.11 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.7 mm -53.23 106.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -86.56 9.7 17.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 54.3 m-20 -95.35 33.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.36 -55.26 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.69 -42.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.37 -46.29 49.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' ALA . 2.7 mt -45.04 -39.62 5.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.07 -44.58 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -74.43 -54.48 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.538 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -42.36 -45.05 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.946 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -55.23 151.8 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -131.32 -44.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.54 175.12 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD1' HD22 ' A' ' 54' ' ' LEU . 16.2 mt -101.52 136.12 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -101.84 -41.07 6.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.02 159.71 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -141.97 121.99 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -140.46 150.8 44.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -79.57 84.57 5.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.518 HG11 ' CE2' ' A' ' 32' ' ' TRP . 6.3 p -50.52 147.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 46.3 tptt -109.18 79.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.518 ' CE2' HG11 ' A' ' 30' ' ' VAL . 42.1 m95 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 p -139.34 170.26 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 85.8 m95 -108.9 117.86 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -119.86 152.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.35 28.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.464 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 0.4 OUTLIER -48.29 -31.34 5.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.93 -32.06 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' ILE . 3.5 m-20 -93.12 -34.86 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 45' ' ' GLU . 28.2 mm -40.47 108.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -77.07 -3.52 39.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 65.7 m-20 -92.73 33.07 1.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.16 -50.91 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.92 -40.49 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.59 -43.98 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 45' ' ' GLU . 15.1 mt -45.82 -36.53 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.88 -54.46 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.27 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.554 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -39.42 -53.16 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.56 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -118.6 -38.54 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.27 -175.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.4 mt -105.04 137.15 43.23 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.592 1.183 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.07 -27.4 11.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.67 161.59 41.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 2.4 ttt180 -135.92 110.64 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 11.6 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CD2' HD13 ' A' ' 16' ' ' LEU . 52.9 m-85 -144.69 145.69 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 5.5 mt -74.09 84.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG11 ' CE2' ' A' ' 32' ' ' TRP . 5.0 p -56.36 145.5 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 29.3 tptt -101.88 81.12 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' HG11 ' A' ' 30' ' ' VAL . 41.4 m95 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.4 p -136.34 166.85 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 89.6 m95 -101.31 127.22 48.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 108.025 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -129.13 151.1 77.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 144.99 31.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -30.99 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -49.65 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -74.33 -36.37 63.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -50.8 110.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -89.91 11.84 19.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.3 m-20 -100.15 32.06 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . . . -40.9 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -42.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -72.02 -46.26 57.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.217 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 1.1 mt -48.03 -37.15 14.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.25 -59.98 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' PHE . . . -61.39 -56.46 20.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.506 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.2 t80 -37.84 -56.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -49.16 148.58 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.25 -43.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 110.234 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.8 179.81 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.428 HD23 ' CB ' ' A' ' 28' ' ' TYR . 26.4 mt -104.16 136.68 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 2.7 mt -102.97 -49.57 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.56 161.78 31.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 1.3 ttp180 -145.46 112.75 6.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 38.0 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 24.9 m-85 -139.76 140.57 36.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.519 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 1.8 mt -68.06 78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.58 ' CG1' ' CE2' ' A' ' 32' ' ' TRP . 3.6 p -48.7 149.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 20.7 tptp -105.76 74.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 42.5 m95 . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.4 p -140.07 177.22 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.519 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 85.2 m95 -111.5 102.01 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -101.17 150.92 37.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 144.21 30.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.501 ' OE2' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.14 -35.0 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -10.65 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.3 -23.26 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' ' 45' ' ' GLU . 22.8 mm -58.08 110.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 mt -91.7 21.39 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 22.7 m-20 -113.8 33.15 5.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . . . -40.46 -53.73 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 -41.39 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.63 1.206 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -74.03 -45.25 50.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.501 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 6.0 mt -44.89 -38.79 4.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.33 -46.17 83.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -68.43 -57.74 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.74 -52.09 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 30' ' ' VAL . . . -84.95 138.96 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.75 -41.22 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.94 178.54 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 28' ' ' TYR . 16.4 mt -101.63 107.12 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 1.4 mt -73.21 -30.03 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.92 163.13 39.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.59 109.73 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.526 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 20.8 mt-10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 14.6 m-85 -142.66 150.81 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mt -81.06 81.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG11 ' CE2' ' A' ' 32' ' ' TRP . 6.6 p -56.55 141.09 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 18.8 tptm -96.13 76.58 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.517 ' CE2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 107.987 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 41' ' ' THR . 44.2 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.429 ' N ' ' OG ' ' A' ' 40' ' ' SER . 17.2 p -140.04 176.06 9.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -116.86 106.1 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.76 154.79 37.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 141.46 27.05 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -50.37 -32.82 18.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -16.89 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -26.21 12.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 45' ' ' GLU . 25.6 mm -57.19 108.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.0 mt -90.66 17.27 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 69.2 m-20 -104.91 33.12 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . . . -40.81 -54.95 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -42.35 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.14 -46.62 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -44.61 -38.73 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.36 70.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.27 60.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -37.8 -50.09 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -54.46 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.61 -45.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.98 -179.06 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt -109.84 121.74 45.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' CD1' ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -94.42 -18.7 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -162.41 161.73 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 4.2 ttp180 -144.95 110.25 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.559 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 41.0 mt-10 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 8.0 m-85 -143.2 155.02 44.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mt -77.47 84.08 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.504 ' CG2' ' CB ' ' A' ' 13' ' ' ALA . 2.0 p -56.89 144.31 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 17' ' ' LEU . 13.8 tptp -103.98 72.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CE2' HG13 ' A' ' 30' ' ' VAL . 39.7 m95 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 107.978 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -141.11 -177.02 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -111.58 109.19 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -98.89 151.49 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.33 30.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -55.66 -18.51 8.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -81.14 -10.15 59.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -106.15 -32.96 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CG2' HD12 ' A' ' 54' ' ' LEU . 47.5 mm -41.94 110.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -91.37 2.65 56.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.125 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -102.61 33.51 3.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.18 -51.99 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -39.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.062 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.56 -45.2 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 48' ' ' ILE . 27.1 mt -44.35 -36.64 2.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.32 73.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.6 55.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -45.32 -55.19 6.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.19 155.93 4.5 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -122.68 -40.6 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.44 -178.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.549 HD12 ' CD2' ' A' ' 28' ' ' TYR . 15.7 mt -105.44 111.76 24.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -76.05 -41.98 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -143.16 166.6 24.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.1 ttt180 -137.07 129.93 30.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 16.4 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CD2' HD12 ' A' ' 16' ' ' LEU . 16.2 m-85 -145.13 143.86 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.7 mt -70.05 79.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG13 ' CE2' ' A' ' 32' ' ' TRP . 7.8 p -50.68 148.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 21.6 tptt -106.01 88.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CE2' HG13 ' A' ' 30' ' ' VAL . 38.0 m95 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.7 p -145.57 -175.92 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 89.4 m95 -112.25 112.5 24.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.026 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.67 152.96 44.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.49 23.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -35.81 3.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.78 -50.25 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.54 -39.99 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mm -42.28 116.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.57 24.67 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 26.7 m-20 -113.74 33.06 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.16 -54.44 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -38.84 -40.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.08 -50.12 21.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.59 -37.37 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -63.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.55 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.64 -59.48 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -134.41 -45.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.43 -176.86 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 57' ' ' PHE . 15.9 mt -103.82 135.74 44.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 3.2 mt -104.27 -32.8 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -147.48 162.69 38.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 3.5 ttp180 -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' CE2' ' CD ' ' A' ' 19' ' ' ARG . 46.2 m-85 -142.02 139.44 32.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.458 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.5 mt -70.15 81.77 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG12 ' CE2' ' A' ' 32' ' ' TRP . 8.4 p -52.01 147.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 21.4 tptp -101.99 88.47 3.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' HG12 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.412 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 33.3 p -134.87 167.68 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.458 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 91.1 m95 -107.13 105.04 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -104.25 150.91 38.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 146.97 33.13 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -29.57 21.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -11.19 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -109.41 -29.88 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mm -56.67 106.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 mt -87.31 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 45.8 m-20 -98.48 33.05 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.5 -55.11 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -38.6 -42.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.52 41.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.7 mt -44.89 -38.27 4.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.36 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.315 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.89 86.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.549 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -52.09 -53.27 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.335 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -52.22 151.75 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.74 -41.61 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.2 -176.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 57' ' ' PHE . 11.7 mt -99.03 136.87 38.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 4.4 mt -106.07 -28.76 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 1.9 ttmm -151.32 159.17 44.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -147.68 117.5 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 67.1 mt-10 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 6.9 m-85 -135.58 147.37 48.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.552 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 9.2 mt -74.68 86.95 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.523 ' CG1' ' CE2' ' A' ' 32' ' ' TRP . 2.7 p -55.44 145.34 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 28.7 tptt -101.16 94.66 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 41.4 m95 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 107.969 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.2 p -124.0 163.12 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.552 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 91.6 m95 -112.21 97.5 6.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -92.5 152.02 41.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.3 26.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.486 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -51.31 -36.03 40.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.73 -11.66 47.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -108.29 -25.52 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 16' ' ' LEU . 20.9 mm -51.76 108.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.8 mt -89.98 16.44 8.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 41.9 m-20 -104.39 32.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.44 -54.74 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -42.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.45 -45.85 51.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 45' ' ' GLU . 1.9 mt -45.16 -37.64 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.85 -43.0 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -75.1 -61.04 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -42.51 -48.12 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -81.53 146.49 30.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.66 -38.7 2.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.79 -176.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' CD2' ' A' ' 28' ' ' TYR . 38.4 mt -107.42 120.57 42.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -87.09 -15.63 37.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -165.75 162.41 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.561 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -133.36 126.86 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.544 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 2.4 mtt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.532 ' CD2' HD13 ' A' ' 16' ' ' LEU . 55.0 m-85 -141.36 159.63 41.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 6.3 mt -86.72 90.73 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG12 ' CE2' ' A' ' 32' ' ' TRP . 10.0 p -58.92 145.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 21.0 tptm -107.08 79.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.433 ' CE2' HG12 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p -141.64 167.44 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 82.9 m95 -106.85 114.68 28.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -115.96 151.23 46.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 110.232 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.41 31.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -48.61 -32.21 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.87 -31.8 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -93.4 -36.05 12.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.25 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -41.89 113.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.59 7.29 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 21.4 m-20 -105.35 33.21 3.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.84 -53.18 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -39.88 -41.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.47 -44.95 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 45' ' ' GLU . 19.9 mt -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -60.81 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.28 -60.59 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -37.89 -52.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.61 153.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.49 -44.02 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.228 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' OD2' ' A' ' 50' ' ' ASP . . . -163.45 -179.81 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.1 mt -109.65 123.84 50.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -89.43 -37.88 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -143.75 163.55 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 2.2 ttt180 -141.44 119.2 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' CD2' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 -140.83 137.93 33.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.1 mt -67.23 79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 32' ' ' TRP . 7.5 p -49.72 150.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 27.6 tptt -110.6 83.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CE2' HG12 ' A' ' 30' ' ' VAL . 40.9 m95 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 107.98 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.432 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 34.4 p -134.42 168.48 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 82.8 m95 -106.68 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -133.6 151.02 76.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.4 Cg_endo -75.01 140.02 24.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -45.08 -27.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 1.063 . . . . 0.0 110.251 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.56 -40.55 97.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.4 m-20 -83.18 -33.31 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.428 ' CG2' HD11 ' A' ' 54' ' ' LEU . 46.8 mm -44.61 113.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.377 1.048 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -83.8 -3.71 58.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 68.5 m-20 -92.69 33.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.03 -55.37 2.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.7 -44.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -71.15 -47.5 57.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.428 HD11 ' CG2' ' A' ' 48' ' ' ILE . 14.7 mt -43.2 -36.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.15 -53.09 58.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.04 99.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.501 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -51.99 -52.26 51.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.05 131.83 19.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -113.99 -33.65 5.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -175.53 -177.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 54' ' ' LEU . 13.2 mt -107.03 139.36 41.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -105.56 -33.39 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -147.27 166.98 25.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -144.53 109.86 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.226 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 18.1 m-85 -136.99 137.92 39.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.4 mt -65.38 88.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 32' ' ' TRP . 8.2 p -56.58 146.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 9.9 tptm -108.45 98.48 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.451 ' CE2' HG12 ' A' ' 30' ' ' VAL . 42.7 m95 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 108.015 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -138.86 -179.52 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.375 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 84.9 m95 -109.9 99.1 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.22 147.17 34.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.72 38.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.81 -16.83 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -81.56 -2.55 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -135.74 41.64 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 54' ' ' LEU . 19.9 mm -101.54 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.11 -16.46 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -91.89 33.48 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.15 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.12 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -77.89 -35.95 50.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.418 1.074 . . . . 0.0 109.398 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD1' ' CG2' ' A' ' 48' ' ' ILE . 23.2 mt -49.78 -39.83 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.95 73.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.6 -66.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -38.37 -50.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.597 1.186 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.57 137.8 46.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.204 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -117.72 -46.31 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -161.68 -174.03 4.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 57' ' ' PHE . 9.6 mt -110.13 141.05 43.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -104.84 -34.43 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.541 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 2.1 ttp85 -142.17 112.67 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' CD ' ' A' ' 19' ' ' ARG . 5.1 m-85 -124.47 149.1 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.0 mt -76.32 85.67 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.5 p -55.06 152.16 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' ALA . 32.3 tptt -111.34 87.47 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.452 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 45.7 m95 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.044 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.8 p -141.17 -178.25 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 110.4 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 82.1 m95 -106.88 106.28 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.02 150.96 37.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 144.94 30.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -53.18 -27.85 23.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.75 -12.24 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 1.057 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -105.19 -27.78 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' HD12 ' A' ' 54' ' ' LEU . 39.1 mm -49.08 116.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -96.63 1.24 50.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' OD2' ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -100.94 33.19 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.17 -52.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.73 -40.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.13 -45.34 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 48' ' ' ILE . 18.3 mt -44.12 -38.11 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.81 80.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.75 -51.34 19.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 16' ' ' LEU . 1.7 t80 -49.18 -59.41 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.79 152.22 12.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.19 -42.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.4 -179.05 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.13 128.9 47.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 1.2 mt -97.57 -29.84 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.13 161.19 40.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -136.84 117.79 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.57 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 1.9 mmt180 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 55.6 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 9.6 m-85 -136.96 143.25 42.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.196 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.515 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 4.2 mt -68.45 86.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' CZ2' ' A' ' 32' ' ' TRP . 6.0 p -62.38 144.17 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 22.4 tptm -99.26 101.98 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.474 ' CZ2' HG12 ' A' ' 30' ' ' VAL . 41.6 m95 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 107.99 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 p -138.14 175.08 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.57 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 95.6 m95 -105.48 119.98 40.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -117.4 151.52 48.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.24 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.96 25.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -49.83 -30.85 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -23.57 66.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -98.03 -30.06 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -50.46 108.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.16 19.43 5.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 44.5 m-20 -105.9 33.19 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -39.76 -54.74 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.9 mtt180 -38.5 -42.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.93 38.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' ALA . 4.1 mt -44.81 -37.53 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.23 60.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -56.19 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.73 -54.3 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.279 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -40.81 140.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -123.97 -41.89 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.84 -176.68 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.1 mt -106.33 137.37 44.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 1.8 mt -106.05 -33.34 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 2.0 ttpp -141.05 160.67 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 15.5 ttp180 -146.37 112.39 5.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 12.1 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 15.5 m-85 -144.33 154.31 42.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.507 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 5.9 mt -86.09 89.8 7.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.567 HG13 ' CZ2' ' A' ' 32' ' ' TRP . 9.6 p -59.94 147.79 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 15.5 tptp -102.7 87.68 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.567 ' CZ2' HG13 ' A' ' 30' ' ' VAL . 41.9 m95 . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -131.05 170.11 14.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.507 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 m95 -111.91 97.94 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -96.83 152.6 38.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.92 34.32 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.492 1.785 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.524 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -54.87 -33.78 62.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -66.66 -11.03 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.19 -25.43 10.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.5 112.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.68 3.73 49.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 3.1 m-20 -92.21 33.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.4 -58.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -41.1 -42.43 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.12 -43.87 55.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.5 mt -46.34 -36.15 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.56 95.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -65.4 -62.44 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.74 -54.89 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.82 134.47 55.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -116.07 -34.75 4.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.81 177.5 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 54' ' ' LEU . 9.1 mt -102.38 138.64 39.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -103.77 -35.64 8.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -150.04 160.91 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.8 ttt180 -136.98 120.4 16.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 82.8 mtt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 mt-10 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 8.1 m-85 -139.93 145.69 38.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.8 mt -69.9 86.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.52 HG12 ' CE2' ' A' ' 32' ' ' TRP . 9.0 p -55.23 149.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 4.4 tptt -110.18 80.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.52 ' CE2' HG12 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.8 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.7 p -147.33 175.82 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 93.0 m95 -113.44 119.36 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.91 153.92 44.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.04 140.35 25.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -47.54 -24.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.46 -37.14 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' PRO . 41.6 t-20 -76.69 -29.19 56.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 54' ' ' LEU . 48.0 mm -45.43 113.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.94 -5.76 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -94.44 33.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.23 -51.96 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -40.31 -40.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.251 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -74.86 -43.85 52.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 48' ' ' ILE . 51.0 mt -45.52 -37.53 5.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.23 -42.53 81.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.78 -59.54 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -43.13 -47.74 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.363 1.04 . . . . 0.0 110.32 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.6 144.52 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -116.74 -35.53 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.56 -177.07 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 28' ' ' TYR . 57.3 mt -108.82 131.43 54.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -99.5 -47.16 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.47 161.9 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.9 ttp85 -143.39 117.54 9.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 5.0 mtt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.554 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 46.2 mt-10 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 14.4 m-85 -147.6 144.89 28.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.477 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 1.5 mt -73.6 77.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 32' ' ' TRP . 4.5 p -46.19 146.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 23.5 tptp -105.5 102.43 11.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.458 ' CE2' HG11 ' A' ' 30' ' ' VAL . 40.5 m95 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.973 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.435 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 5.0 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 14.4 p -147.69 174.26 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.482 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 86.6 m95 -114.62 112.71 23.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -116.96 151.91 48.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.06 140.83 25.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -42.14 -29.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.599 1.187 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.54 -46.05 87.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.0 m-20 -76.4 -29.42 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 54' ' ' LEU . 9.1 mm -57.73 108.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.5 mt -98.36 41.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 42.6 m-20 -120.06 33.27 5.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -39.19 -55.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -38.54 -43.7 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.1 mp -74.03 -56.83 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' CD1' HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -46.64 -36.13 6.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.14 76.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -46.73 25.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.237 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.43 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.06 -54.14 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.94 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -48.45 146.66 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -121.76 -40.3 2.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.35 -173.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.23 139.62 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -107.54 -33.91 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.95 162.62 41.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -135.02 137.79 43.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -140.08 154.19 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.3 mt -79.87 82.29 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' ' 32' ' ' TRP . 4.3 p -51.99 153.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 9.9 tptm -108.73 93.54 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.517 ' CE2' HG13 ' A' ' 30' ' ' VAL . 39.8 m95 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 108.025 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 22.8 p -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 86.8 m95 -106.95 100.58 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -106.41 148.95 37.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 147.91 34.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -31.22 6.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.38 -41.39 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -81.75 -33.23 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 mm -53.54 110.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.41 13.22 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 37.4 m-20 -104.08 33.07 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.53 -55.1 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.59 -44.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -70.77 -48.43 54.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -43.85 -30.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.39 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.78 -16.52 64.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.364 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' LEU . 12.2 t80 -73.15 -59.95 2.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.297 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -90.93 159.26 16.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -118.23 -37.08 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.39 -174.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 57' ' ' PHE . 15.3 mt -103.37 129.9 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -100.5 -28.15 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -153.69 161.0 42.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 8.2 ttp180 -140.28 109.85 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 49.2 mt-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 11.3 m-85 -140.27 153.44 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.92 85.76 5.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG13 ' CE2' ' A' ' 32' ' ' TRP . 5.4 p -55.77 145.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.253 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 19.5 tptt -100.91 74.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.525 ' CE2' HG13 ' A' ' 30' ' ' VAL . 43.0 m95 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.979 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 41' ' ' THR . 45.5 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' OG ' ' A' ' 40' ' ' SER . 40.2 p -141.41 175.09 9.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 85.6 m95 -114.22 111.14 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.6 151.14 43.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.74 29.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -27.63 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.58 -47.91 81.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -77.45 -37.13 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -44.75 115.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -92.89 29.07 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.387 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 10.2 m-20 -117.17 32.78 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . . . -40.87 -54.64 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -38.67 -41.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -73.16 -49.7 26.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 1.4 mt -45.01 -39.16 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -40.11 -47.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 111.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.34 103.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.032 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -171.59 160.1 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.42 176.04 52.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -115.9 82.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -175.69 102.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 109.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.43 -74.24 0.21 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -45.23 138.84 3.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.49 104.55 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -137.49 127.72 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -83.97 169.18 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -179.26 92.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -70.17 151.44 45.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -120.86 -39.26 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.27 -175.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' CD2' HD11 ' A' ' 48' ' ' ILE . 13.3 mt -105.27 118.14 35.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -85.73 -29.59 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -153.89 162.37 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -136.75 122.23 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 6.3 mmt180 -140.18 176.66 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.04 145.49 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -95.58 -58.75 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.225 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -171.19 51.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.231 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.23 -38.96 2.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -87.42 148.2 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -102.2 106.5 17.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -100.18 136.45 40.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.118 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 26' ' ' MET . 32.2 m-85 -122.99 140.27 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 4.6 mt -66.04 93.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.566 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -62.46 147.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 46.1 tptt -106.48 87.45 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 -59.89 114.98 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.72 179.77 5.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.54 -69.82 1.14 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.417 1.073 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' O ' ' CD1' ' A' ' 35' ' ' TRP . 0.1 OUTLIER -113.43 141.46 47.06 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.8 p -122.42 58.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.64 133.58 43.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 76.39 175.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -85.92 14.92 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t 73.12 -165.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.0 p -129.85 174.75 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 85.1 m95 -106.46 99.32 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -90.39 149.96 42.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.47 35.62 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.479 1.778 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' OE2' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.76 -33.69 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.32 -13.89 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.53 -26.15 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.429 HD11 ' CD2' ' A' ' 16' ' ' LEU . 29.7 mm -58.12 104.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.78 8.01 21.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 57.0 m-20 -94.78 33.18 1.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.15 -54.49 2.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.14 -42.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.74 -44.74 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' ALA . 20.0 mt -45.65 -39.97 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.72 89.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -73.07 -55.26 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.64 -52.87 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.62 -54.1 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.5 126.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.88 178.05 44.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.444 1.76 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.68 -53.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.3 p 39.51 90.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 109.941 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t 40.57 81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 m 49.48 92.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.95 -175.81 50.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -137.93 165.66 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.01 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -127.34 130.55 49.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.54 -165.59 29.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.597 1.186 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -40.46 114.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -99.84 101.9 13.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.4 t 62.02 145.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.238 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -86.88 168.13 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 111.054 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -179.43 72.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 141.86 58.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -117.3 -36.69 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.46 -174.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 HD11 ' CD2' ' A' ' 57' ' ' PHE . 14.2 mt -107.1 132.01 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -101.31 -26.4 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -153.93 162.46 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -143.03 109.99 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -142.82 172.97 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.03 127.88 55.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -69.04 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 2.2 tttt -165.79 44.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.85 -37.0 1.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.53 167.3 10.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.2 mtt -97.56 122.45 40.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -116.81 140.43 49.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 27.2 m-85 -115.3 142.85 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 5.0 mt -70.91 83.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.572 HG12 ' CZ2' ' A' ' 32' ' ' TRP . 2.8 p -55.55 144.91 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 10.2 tptp -100.86 89.9 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CZ2' HG12 ' A' ' 30' ' ' VAL . 41.8 m95 -62.21 145.74 52.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 108.033 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -103.41 119.89 39.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.24 -65.17 0.52 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -83.88 132.04 34.82 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.69 160.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 3.7 tt0 -51.78 99.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 165.1 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.251 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LYS . 27.9 m-85 35.88 48.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 m -87.62 -179.15 6.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 p -138.06 162.18 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.548 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 86.0 m95 -105.76 98.48 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.12 151.38 37.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.6 36.77 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -50.9 -38.04 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -16.9 32.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -102.89 -33.11 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.7 mm -53.23 106.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -86.56 9.7 17.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 54.3 m-20 -95.35 33.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.36 -55.26 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.69 -42.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.37 -46.29 49.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 51' ' ' ALA . 2.7 mt -45.04 -39.62 5.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.07 -44.58 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -74.43 -54.48 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.538 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -42.36 -45.05 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.946 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.85 -58.8 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -139.04 130.65 27.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.23 157.29 27.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.55 22.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -110.62 79.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.952 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 p -47.01 -33.03 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.514 1.134 . . . . 0.0 110.937 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -132.3 -58.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.83 85.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.05 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.23 -117.3 1.35 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.16 88.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.68 -58.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.19 -100.01 1.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 40.56 73.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 110.234 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.78 101.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -128.94 118.95 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' HB3' ' CE2' ' A' ' 35' ' ' TRP . 51.0 p90 -43.41 131.42 4.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.04 112.47 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -55.23 151.8 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -131.32 -44.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.54 175.12 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD1' HD22 ' A' ' 54' ' ' LEU . 16.2 mt -101.52 136.12 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -101.84 -41.07 6.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.02 159.71 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -141.97 121.99 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -171.06 -173.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 22' ' ' ARG . 1.6 mp -84.32 145.44 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' N ' HG22 ' A' ' 21' ' ' ILE . 4.8 tpt180 -91.99 -50.14 5.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.84 38.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.11 -41.94 0.79 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.65 -179.57 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.767 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.75 152.39 18.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -155.32 177.88 10.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -140.46 150.8 44.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -79.57 84.57 5.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.518 HG11 ' CE2' ' A' ' 32' ' ' TRP . 6.3 p -50.52 147.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 46.3 tptt -109.18 79.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.518 ' CE2' HG11 ' A' ' 30' ' ' VAL . 42.1 m95 -48.39 145.65 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 109.77 21.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.63 54.96 8.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.457 ' CE2' ' HB3' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -165.97 122.38 1.34 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.23 63.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -76.84 159.51 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.39 -60.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -86.79 49.77 1.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -161.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 p -139.34 170.26 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 85.8 m95 -108.9 117.86 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -119.86 152.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.35 28.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.464 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 0.4 OUTLIER -48.29 -31.34 5.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.93 -32.06 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' ILE . 3.5 m-20 -93.12 -34.86 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 45' ' ' GLU . 28.2 mm -40.47 108.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -77.07 -3.52 39.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 65.7 m-20 -92.73 33.07 1.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.16 -50.91 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.92 -40.49 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.59 -43.98 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 45' ' ' GLU . 15.1 mt -45.82 -36.53 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.88 -54.46 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.27 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.554 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -39.42 -53.16 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.62 -58.95 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 t -178.62 127.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.86 -176.34 50.11 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 81.26 2.26 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 132.45 53.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.71 139.85 30.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.443 1.09 . . . . 0.0 111.01 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -42.6 159.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 0.0 109.966 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -161.66 128.79 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 110.002 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.51 156.64 12.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -159.11 136.63 10.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 110.05 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.05 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.076 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.17 -177.7 4.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -77.63 150.12 34.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.35 77.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t -133.05 123.82 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 8.9 p90 -62.55 129.93 42.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.0 87.19 2.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.56 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -118.6 -38.54 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.27 -175.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.4 mt -105.04 137.15 43.23 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.592 1.183 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.07 -27.4 11.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.67 161.59 41.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 2.4 ttt180 -135.92 110.64 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -143.77 177.29 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 22' ' ' ARG . 58.8 mt -99.17 141.53 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' N ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -79.68 -64.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.31 48.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.07 -40.11 1.38 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -112.05 171.8 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 110.267 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.89 153.21 21.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 11.6 mt-10 -149.16 169.08 21.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CD2' HD13 ' A' ' 16' ' ' LEU . 52.9 m-85 -144.69 145.69 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 5.5 mt -74.09 84.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG11 ' CE2' ' A' ' 32' ' ' TRP . 5.0 p -56.36 145.5 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 29.3 tptt -101.88 81.12 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' HG11 ' A' ' 30' ' ' VAL . 41.4 m95 -48.97 154.8 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -115.29 130.73 56.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.79 64.15 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -145.01 -56.96 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.3 t -178.68 74.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' C ' ' CG ' ' A' ' 38' ' ' LYS . 3.5 mp0 -63.94 76.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.0 OUTLIER 171.26 -41.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -92.72 32.76 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.81 168.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.4 p -136.34 166.85 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 89.6 m95 -101.31 127.22 48.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 108.025 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -129.13 151.1 77.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 144.99 31.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -30.99 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -49.65 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -74.33 -36.37 63.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -50.8 110.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -89.91 11.84 19.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.3 m-20 -100.15 32.06 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . . . -40.9 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -42.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -72.02 -46.26 57.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.217 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 1.1 mt -48.03 -37.15 14.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.25 -59.98 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' PHE . . . -61.39 -56.46 20.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.506 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.2 t80 -37.84 -56.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.63 -54.85 41.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.64 98.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.48 -149.95 5.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.169 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.77 3.87 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.02 113.38 25.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.1 p -177.21 118.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -140.51 124.4 17.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -118.55 136.55 53.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.34 101.77 0.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.074 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t 46.86 81.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 0.77 . . . . 0.0 109.936 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -99.74 -56.51 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.64 -130.4 1.11 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.41 120.04 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 49.14 83.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.0 t -91.61 42.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -38.83 158.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.04 66.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -49.16 148.58 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.25 -43.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 110.234 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.8 179.81 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.428 HD23 ' CB ' ' A' ' 28' ' ' TYR . 26.4 mt -104.16 136.68 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 2.7 mt -102.97 -49.57 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.56 161.78 31.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 1.3 ttp180 -145.46 112.75 6.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -147.93 177.29 9.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.43 133.05 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.85 -65.72 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.36 -63.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.82 24.45 0.82 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -119.79 148.82 42.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 0.802 . . . . 0.0 110.239 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.94 111.38 23.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 38.0 mt-10 -125.56 161.54 26.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 24.9 m-85 -139.76 140.57 36.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.519 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 1.8 mt -68.06 78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.58 ' CG1' ' CE2' ' A' ' 32' ' ' TRP . 3.6 p -48.7 149.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 20.7 tptp -105.76 74.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 42.5 m95 -47.82 142.77 4.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -57.61 -179.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.47 -25.54 2.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 0.0 OUTLIER -50.37 -31.54 15.01 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.499 ' HB3' ' CD1' ' A' ' 35' ' ' TRP . 1.0 OUTLIER -150.14 103.67 3.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -98.12 -56.84 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.55 34.68 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.198 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -144.07 55.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.2 p -81.06 161.67 24.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.4 p -140.07 177.22 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.519 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 85.2 m95 -111.5 102.01 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -101.17 150.92 37.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 144.21 30.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.501 ' OE2' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.14 -35.0 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -10.65 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.3 -23.26 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' ' 45' ' ' GLU . 22.8 mm -58.08 110.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 mt -91.7 21.39 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 22.7 m-20 -113.8 33.15 5.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . . . -40.46 -53.73 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 -41.39 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.63 1.206 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -74.03 -45.25 50.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.501 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 6.0 mt -44.89 -38.79 4.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.33 -46.17 83.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -68.43 -57.74 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.74 -52.09 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.41 -50.19 41.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 m -127.22 96.33 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.76 -170.21 3.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 99.86 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.5 p -129.13 150.65 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.85 158.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.044 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -176.88 147.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 p -125.55 90.64 3.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.947 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.0 -147.37 5.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -151.04 -48.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 0.736 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.29 134.91 16.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.06 -168.77 33.56 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 65.99 104.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.252 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.69 91.5 3.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -135.57 127.82 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -76.87 131.66 38.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.69 103.97 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.361 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 30' ' ' VAL . . . -84.95 138.96 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.75 -41.22 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.94 178.54 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 28' ' ' TYR . 16.4 mt -101.63 107.12 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 1.4 mt -73.21 -30.03 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.92 163.13 39.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.59 109.73 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -146.46 173.77 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.9 mt -91.62 148.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.14 62.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? 45.68 33.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.85 -86.6 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.28 160.28 14.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.436 0.727 . . . . 0.0 110.327 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.1 mtt -67.42 152.6 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 20.8 mt-10 -152.16 169.44 22.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 14.6 m-85 -142.66 150.81 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mt -81.06 81.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG11 ' CE2' ' A' ' 32' ' ' TRP . 6.6 p -56.55 141.09 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 18.8 tptm -96.13 76.58 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.517 ' CE2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 -44.61 148.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -121.04 111.72 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.28 -62.62 0.46 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.49 ' CD1' ' C ' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -127.48 165.82 19.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 t -178.72 126.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.62 -59.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -179.17 -69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -97.82 30.77 2.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 41' ' ' THR . 44.2 t 64.65 -165.08 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.429 ' N ' ' OG ' ' A' ' 40' ' ' SER . 17.2 p -140.04 176.06 9.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -116.86 106.1 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.76 154.79 37.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 141.46 27.05 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 0.0 OUTLIER -50.37 -32.82 18.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -16.89 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -26.21 12.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 45' ' ' GLU . 25.6 mm -57.19 108.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.0 mt -90.66 17.27 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 69.2 m-20 -104.91 33.12 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . . . -40.81 -54.95 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -42.35 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.14 -46.62 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -44.61 -38.73 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.36 70.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.27 60.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -37.8 -50.09 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.72 -57.43 3.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.82 167.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.74 -177.34 53.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.049 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 119.59 5.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.0 p -136.3 154.23 50.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.597 1.185 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -152.13 121.48 6.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 0.777 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m 65.45 86.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.64 155.55 17.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.567 1.167 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.72 91.95 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.0 85.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.16 144.74 0.16 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.76 83.89 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -104.7 87.38 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.9 t -140.82 128.27 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -94.99 153.19 17.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.69 124.6 4.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -54.46 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.61 -45.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.98 -179.06 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt -109.84 121.74 45.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' CD1' ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -94.42 -18.7 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -162.41 161.73 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 4.2 ttp180 -144.95 110.25 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -142.05 172.99 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.5 mt -115.88 133.93 60.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -80.78 -70.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.66 -70.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.37 25.19 1.86 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -125.73 158.67 34.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 110.383 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.63 114.79 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.559 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 41.0 mt-10 -122.62 164.51 18.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 8.0 m-85 -143.2 155.02 44.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 mt -77.47 84.08 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.504 ' CG2' ' CB ' ' A' ' 13' ' ' ALA . 2.0 p -56.89 144.31 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 17' ' ' LEU . 13.8 tptp -103.98 72.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CE2' HG13 ' A' ' 30' ' ' VAL . 39.7 m95 -43.61 142.23 1.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 107.978 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -86.74 127.71 34.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.39 56.2 1.96 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.454 ' CD1' ' C ' ' A' ' 35' ' ' TRP . 0.1 OUTLIER -169.59 127.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t 41.73 69.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 5.0 pt20 -93.03 61.35 3.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.168 . . . . 0.0 110.309 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 pttp 174.76 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.55 50.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -141.11 -177.02 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -111.58 109.19 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -98.89 151.49 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.33 30.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -55.66 -18.51 8.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -81.14 -10.15 59.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -106.15 -32.96 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.467 ' CG2' HD12 ' A' ' 54' ' ' LEU . 47.5 mm -41.94 110.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -91.37 2.65 56.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.125 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -102.61 33.51 3.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.18 -51.99 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -39.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.062 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.56 -45.2 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 48' ' ' ILE . 27.1 mt -44.35 -36.64 2.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.32 73.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.6 55.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -45.32 -55.19 6.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.98 -54.59 17.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.39 174.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.55 -147.28 16.49 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 74.23 4.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 p -109.48 172.17 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.3 m -108.78 -57.63 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.81 170.06 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.77 162.87 28.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.71 95.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' GLY . 13.7 t -128.09 -53.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 m 67.02 -71.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -146.22 -103.1 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -129.43 91.97 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.27 91.26 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.7 t -133.42 125.25 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 34.1 p90 -78.66 137.15 37.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.18 87.42 0.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.19 155.93 4.5 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -122.68 -40.6 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.44 -178.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.549 HD12 ' CD2' ' A' ' 28' ' ' TYR . 15.7 mt -105.44 111.76 24.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -76.05 -41.98 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -143.16 166.6 24.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.1 ttt180 -137.07 129.93 30.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -155.4 172.62 17.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.08 142.64 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -87.25 -57.17 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.63 51.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.09 -39.38 1.82 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.96 158.88 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 110.288 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.67 131.07 39.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 16.4 mt-10 -122.81 160.69 25.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CD2' HD12 ' A' ' 16' ' ' LEU . 16.2 m-85 -145.13 143.86 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.7 mt -70.05 79.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG13 ' CE2' ' A' ' 32' ' ' TRP . 7.8 p -50.68 148.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 21.6 tptt -106.01 88.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CE2' HG13 ' A' ' 30' ' ' VAL . 38.0 m95 -64.04 143.35 57.93 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.73 116.95 29.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.93 -64.2 0.51 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -81.23 -51.5 8.34 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 m 60.83 121.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 39.73 69.39 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.45 -74.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.61 34.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -73.95 155.14 38.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.95 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.7 p -145.57 -175.92 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 89.4 m95 -112.25 112.5 24.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.026 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.67 152.96 44.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.49 23.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -35.81 3.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.78 -50.25 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.54 -39.99 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mm -42.28 116.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.57 24.67 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 26.7 m-20 -113.74 33.06 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.16 -54.44 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -38.84 -40.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.08 -50.12 21.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.59 -37.37 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -63.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.55 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.64 -59.48 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.58 -55.29 21.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.96 115.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.32 177.67 41.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -49.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.43 1.753 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.6 m -96.45 109.64 22.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.04 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t -107.52 140.02 41.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.88 154.66 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -47.66 144.11 3.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.1 168.42 19.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.15 167.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.45 77.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.67 -150.4 19.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -102.35 141.73 34.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 110.265 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.85 92.85 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t 65.02 144.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.504 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 17.8 p90 -143.71 119.94 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.98 62.8 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -134.41 -45.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.43 -176.86 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 57' ' ' PHE . 15.9 mt -103.82 135.74 44.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 3.2 mt -104.27 -32.8 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -147.48 162.69 38.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 3.5 ttp180 -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.78 165.78 25.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.73 135.25 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -82.14 -69.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -117.98 -69.42 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.9 40.48 1.13 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -127.96 165.67 19.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 0.732 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.04 104.59 10.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -114.18 156.88 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.603 1.19 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' CE2' ' CD ' ' A' ' 19' ' ' ARG . 46.2 m-85 -142.02 139.44 32.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.458 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.5 mt -70.15 81.77 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG12 ' CE2' ' A' ' 32' ' ' TRP . 8.4 p -52.01 147.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 21.4 tptp -101.99 88.47 3.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' HG12 ' A' ' 30' ' ' VAL . 41.8 m95 -59.92 143.43 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -95.08 113.14 24.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.92 -56.69 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -98.53 97.42 8.73 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 p -44.7 104.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 54.76 172.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 39' ' ' TYR . 29.9 mttt 63.81 -172.97 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LYS . 26.3 m-85 35.93 49.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -107.23 172.34 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.412 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 33.3 p -134.87 167.68 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.458 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 91.1 m95 -107.13 105.04 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -104.25 150.91 38.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 146.97 33.13 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -29.57 21.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -11.19 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -109.41 -29.88 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mm -56.67 106.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 mt -87.31 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 45.8 m-20 -98.48 33.05 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.5 -55.11 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -38.6 -42.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.52 41.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.7 mt -44.89 -38.27 4.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.36 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.315 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.89 86.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.549 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -52.09 -53.27 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.42 -57.84 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.74 110.93 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.36 161.54 54.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 137.39 21.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 t -153.67 99.61 2.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.163 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.82 138.02 4.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.85 -58.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -140.97 129.26 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.59 163.26 17.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -164.57 135.65 4.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.944 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.69 111.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.177 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.64 85.63 0.13 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -141.2 122.4 14.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -175.37 93.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.2 t -131.79 126.1 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 32' ' ' TRP . 11.5 m-85 -76.06 139.55 41.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.438 1.086 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.5 63.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -52.22 151.75 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.74 -41.61 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.2 -176.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 57' ' ' PHE . 11.7 mt -99.03 136.87 38.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 4.4 mt -106.07 -28.76 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 1.9 ttmm -151.32 159.17 44.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -147.68 117.5 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.11 -177.15 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.12 121.06 53.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -60.71 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -122.28 -69.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.35 31.02 1.06 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.31 171.03 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.98 104.27 10.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 67.1 mt-10 -118.02 153.36 33.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 6.9 m-85 -135.58 147.37 48.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.552 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 9.2 mt -74.68 86.95 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.523 ' CG1' ' CE2' ' A' ' 32' ' ' TRP . 2.7 p -55.44 145.34 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 28.7 tptt -101.16 94.66 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' PHE . 41.4 m95 -68.42 138.91 55.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 107.969 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -80.11 113.78 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.24 63.73 0.91 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.435 ' CD1' ' C ' ' A' ' 35' ' ' TRP . 0.1 OUTLIER -163.91 -45.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -41.49 -68.15 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 109.961 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 60.36 59.9 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.229 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' TYR . 8.3 mttm 67.1 170.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' LYS . 26.9 m-85 36.13 62.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -154.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.2 p -124.0 163.12 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.552 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 91.6 m95 -112.21 97.5 6.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -92.5 152.02 41.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.3 26.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.486 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -51.31 -36.03 40.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.73 -11.66 47.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -108.29 -25.52 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 16' ' ' LEU . 20.9 mm -51.76 108.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.8 mt -89.98 16.44 8.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 41.9 m-20 -104.39 32.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.44 -54.74 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -42.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.45 -45.85 51.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 45' ' ' GLU . 1.9 mt -45.16 -37.64 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.85 -43.0 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -75.1 -61.04 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CD2' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -42.51 -48.12 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.25 -58.76 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.53 96.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.07 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.84 157.31 28.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 78.13 2.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.3 m -156.78 -61.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -57.39 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.516 1.135 . . . . 0.0 111.059 -179.888 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -131.74 -58.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.71 121.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.79 -58.69 0.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -55.49 149.67 13.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.056 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.8 165.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.05 126.53 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.54 98.99 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 48.78 87.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.84 127.41 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -114.61 126.13 54.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.4 119.88 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -81.53 146.49 30.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.66 -38.7 2.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.79 -176.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD13 ' CD2' ' A' ' 28' ' ' TYR . 38.4 mt -107.42 120.57 42.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -87.09 -15.63 37.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -165.75 162.41 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.561 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -133.36 126.86 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.544 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 2.4 mtt180 -137.75 179.66 6.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.77 135.43 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 2.1 tpt180 -93.72 59.39 2.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 3.8 mtmt 81.01 -54.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.49 -44.13 0.13 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -75.89 161.37 29.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.82 139.59 34.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -135.18 151.84 51.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' CD2' HD13 ' A' ' 16' ' ' LEU . 55.0 m-85 -141.36 159.63 41.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.559 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 6.3 mt -86.72 90.73 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG12 ' CE2' ' A' ' 32' ' ' TRP . 10.0 p -58.92 145.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 21.0 tptm -107.08 79.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.433 ' CE2' HG12 ' A' ' 30' ' ' VAL . 41.8 m95 -47.77 134.9 12.53 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -68.99 116.36 9.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.86 62.73 0.97 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' A' ' 36' ' ' SER . 0.0 OUTLIER 179.8 159.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.599 ' N ' ' CD1' ' A' ' 35' ' ' TRP . 75.7 p -177.88 87.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -40.5 -41.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -178.22 112.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.089 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' LYS . 28.5 m-85 36.14 41.97 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t 56.42 -172.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p -141.64 167.44 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 82.9 m95 -106.85 114.68 28.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -115.96 151.23 46.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 110.232 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.41 31.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -48.61 -32.21 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.87 -31.8 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -93.4 -36.05 12.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.25 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -41.89 113.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.59 7.29 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 21.4 m-20 -105.35 33.21 3.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.84 -53.18 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -39.88 -41.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.47 -44.95 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 45' ' ' GLU . 19.9 mt -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -60.81 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.28 -60.59 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -37.89 -52.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.03 -55.54 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -177.33 132.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.46 164.74 24.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 65.98 6.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -145.82 -70.13 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.413 1.071 . . . . 0.0 110.034 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.34 9.27 23.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -171.25 111.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -150.63 125.97 10.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.16 -136.98 2.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.16 156.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 0.798 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -90.33 144.04 26.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.17 63.4 0.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.89 74.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.33 98.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -136.62 128.14 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -90.81 145.46 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.63 67.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.61 153.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.49 -44.02 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.228 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' OD2' ' A' ' 50' ' ' ASP . . . -163.45 -179.81 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.1 mt -109.65 123.84 50.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -89.43 -37.88 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -143.75 163.55 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 2.2 ttt180 -141.44 119.2 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.69 175.76 10.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.0 mt -104.37 146.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -115.84 84.92 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 85.86 -49.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.58 -42.53 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.11 156.64 35.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.6 mtt -89.19 147.55 24.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -143.35 163.75 32.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' CD2' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 -140.83 137.93 33.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.1 mt -67.23 79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 32' ' ' TRP . 7.5 p -49.72 150.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 27.6 tptt -110.6 83.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CE2' HG12 ' A' ' 30' ' ' VAL . 40.9 m95 -51.43 122.13 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 107.98 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -56.65 144.41 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.19 -52.09 4.58 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -53.71 173.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.45 -171.81 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 65.06 -174.47 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 38.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -111.04 61.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -167.31 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.432 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 34.4 p -134.42 168.48 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 82.8 m95 -106.68 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -133.6 151.02 76.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.4 Cg_endo -75.01 140.02 24.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -45.08 -27.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 1.063 . . . . 0.0 110.251 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.56 -40.55 97.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.4 m-20 -83.18 -33.31 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.428 ' CG2' HD11 ' A' ' 54' ' ' LEU . 46.8 mm -44.61 113.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.377 1.048 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -83.8 -3.71 58.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 68.5 m-20 -92.69 33.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.03 -55.37 2.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.7 -44.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -71.15 -47.5 57.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.428 HD11 ' CG2' ' A' ' 48' ' ' ILE . 14.7 mt -43.2 -36.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.15 -53.09 58.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.04 99.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.501 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -51.99 -52.26 51.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -68.49 -57.12 6.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.3 t 49.61 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.39 158.2 51.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -39.45 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 t -95.26 -57.76 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -169.84 132.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 111.047 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -170.28 119.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 0.717 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -144.22 104.21 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.19 -168.91 47.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p 178.96 101.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 0.728 . . . . 0.0 109.968 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -57.37 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.99 138.53 2.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.429 1.08 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 62.86 164.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 55.74 85.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -136.07 128.63 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 17.3 p90 -126.95 108.65 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.48 107.93 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.05 131.83 19.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -113.99 -33.65 5.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -175.53 -177.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 54' ' ' LEU . 13.2 mt -107.03 139.36 41.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -105.56 -33.39 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.558 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -147.27 166.98 25.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -144.53 109.86 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.226 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -144.66 176.0 9.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 mt -104.41 136.72 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.77 48.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.51 18.81 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.43 -87.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.98 177.34 5.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.28 146.02 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -148.0 154.96 40.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 18.1 m-85 -136.99 137.92 39.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.4 mt -65.38 88.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 32' ' ' TRP . 8.2 p -56.58 146.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 9.9 tptm -108.45 98.48 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.451 ' CE2' HG12 ' A' ' 30' ' ' VAL . 42.7 m95 -67.51 131.25 45.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 108.015 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.85 148.68 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.21 -67.78 1.99 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.7 m95 -71.18 114.67 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 p -62.8 -81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.08 165.06 11.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' TYR . 7.2 mttt 71.85 -167.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' LYS . 28.0 m-85 36.27 61.62 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.45 162.88 33.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -138.86 -179.52 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.375 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 84.9 m95 -109.9 99.1 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.22 147.17 34.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.72 38.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.81 -16.83 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -81.56 -2.55 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -135.74 41.64 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 54' ' ' LEU . 19.9 mm -101.54 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.11 -16.46 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -91.89 33.48 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.15 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.12 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -77.89 -35.95 50.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.418 1.074 . . . . 0.0 109.398 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' CD1' ' CG2' ' A' ' 48' ' ' ILE . 23.2 mt -49.78 -39.83 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.95 73.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.6 -66.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -38.37 -50.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.597 1.186 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.6 -58.93 3.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.43 106.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 1.086 . . . . 0.0 109.95 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.05 -145.42 4.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.41 43.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.28 77.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 t -40.35 146.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 110.933 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 101.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -58.78 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.69 154.67 23.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -129.56 103.81 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 t 47.22 82.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.38 -179.04 17.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.573 1.171 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.12 168.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.12 102.04 4.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.9 t 63.39 125.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 10.5 p90 -136.44 121.75 19.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.57 85.03 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.57 137.8 46.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.204 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -117.72 -46.31 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -161.68 -174.03 4.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 57' ' ' PHE . 9.6 mt -110.13 141.05 43.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -104.84 -34.43 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.541 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 2.1 ttp85 -142.17 112.67 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -142.5 172.28 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.1 mt -117.19 137.65 50.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -65.47 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -71.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.2 17.65 2.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -121.68 151.13 40.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.54 111.92 23.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -116.97 140.76 49.09 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.395 1.06 . . . . 0.0 110.25 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' CD ' ' A' ' 19' ' ' ARG . 5.1 m-85 -124.47 149.1 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.0 mt -76.32 85.67 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.5 p -55.06 152.16 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' ALA . 32.3 tptt -111.34 87.47 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.452 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 45.7 m95 -54.38 148.47 11.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.044 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -40.3 153.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -41.82 -32.95 1.01 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.583 ' O ' ' CD1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -44.53 124.46 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 p -86.46 126.52 34.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.954 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -158.63 -44.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -129.43 160.63 32.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -89.23 26.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t 73.65 157.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.8 p -141.17 -178.25 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 110.4 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.541 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 82.1 m95 -106.88 106.28 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.02 150.96 37.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 144.94 30.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -53.18 -27.85 23.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.75 -12.24 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 1.057 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -105.19 -27.78 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' HD12 ' A' ' 54' ' ' LEU . 39.1 mm -49.08 116.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -96.63 1.24 50.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' OD2' ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -100.94 33.19 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.17 -52.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.73 -40.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.13 -45.34 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 48' ' ' ILE . 18.3 mt -44.12 -38.11 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.81 80.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.75 -51.34 19.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 16' ' ' LEU . 1.7 t80 -49.18 -59.41 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.96 -54.94 22.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.51 172.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.1 -166.13 29.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.431 1.753 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.0 m 62.6 117.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -106.74 154.64 20.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.922 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.172 . . . . 0.0 111.005 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -156.97 96.83 1.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.63 126.7 4.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.38 -114.57 0.62 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.582 1.176 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.17 165.79 25.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -112.56 118.8 36.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.27 158.4 19.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.34 89.81 3.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 52.33 87.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.1 t -138.35 127.95 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -71.05 149.27 46.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.33 74.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.79 152.22 12.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.19 -42.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.4 -179.05 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.13 128.9 47.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 1.2 mt -97.57 -29.84 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.13 161.19 40.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -136.84 117.79 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.57 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 1.9 mmt180 -135.23 167.19 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 25' ' ' ARG . 4.2 mp -126.27 116.93 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -94.96 111.04 22.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.43 -78.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.39 45.41 0.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 1.6 mpt_? -132.71 161.24 34.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 0.718 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mtt -114.56 101.23 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 55.6 mt-10 -118.68 156.58 29.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 9.6 m-85 -136.96 143.25 42.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.196 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.515 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 4.2 mt -68.45 86.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG12 ' CZ2' ' A' ' 32' ' ' TRP . 6.0 p -62.38 144.17 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 22.4 tptm -99.26 101.98 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.474 ' CZ2' HG12 ' A' ' 30' ' ' VAL . 41.6 m95 -71.02 141.57 50.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 131.62 53.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.29 68.25 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.451 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -103.44 173.24 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.44 -57.04 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.88 59.83 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -131.35 115.9 16.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -84.04 46.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 t 63.87 160.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 p -138.14 175.08 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.57 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 95.6 m95 -105.48 119.98 40.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -117.4 151.52 48.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.24 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.96 25.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -49.83 -30.85 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -23.57 66.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -98.03 -30.06 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -50.46 108.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.16 19.43 5.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 44.5 m-20 -105.9 33.19 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -39.76 -54.74 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.9 mtt180 -38.5 -42.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.93 38.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' ALA . 4.1 mt -44.81 -37.53 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.23 60.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -56.19 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -41.73 -54.3 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.96 -57.23 5.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.11 91.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.18 -178.04 22.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -49.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -83.07 -58.65 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.22 161.65 13.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -124.55 -58.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.743 . . . . 0.0 109.967 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 m 58.15 169.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.3 -120.4 1.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.64 102.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.97 98.32 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.74 -170.03 49.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -108.34 108.61 19.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.359 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.61 135.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 85.2 t -130.73 43.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' O ' ' CG ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -42.81 121.48 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.65 87.34 2.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 30' ' ' VAL . . . -40.81 140.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -123.97 -41.89 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.84 -176.68 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.1 mt -106.33 137.37 44.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 1.8 mt -106.05 -33.34 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 2.0 ttpp -141.05 160.67 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 15.5 ttp180 -146.37 112.39 5.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -160.87 177.18 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 22' ' ' ARG . 1.9 mp -91.51 149.45 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' N ' HG22 ' A' ' 21' ' ' ILE . 15.9 tpt180 -92.33 -66.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.13 32.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.337 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.57 -31.9 1.76 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -109.09 167.9 9.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 0.754 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.2 mtt -94.36 128.76 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 12.1 mt-10 -124.79 166.32 16.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 15.5 m-85 -144.33 154.31 42.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.507 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 5.9 mt -86.09 89.8 7.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.567 HG13 ' CZ2' ' A' ' 32' ' ' TRP . 9.6 p -59.94 147.79 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 15.5 tptp -102.7 87.68 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.567 ' CZ2' HG13 ' A' ' 30' ' ' VAL . 41.9 m95 -60.05 119.72 8.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 172.92 12.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.3 -61.5 1.83 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -113.58 146.24 40.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.79 152.47 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -79.42 144.47 34.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.25 -52.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.226 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -101.3 35.48 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m -48.77 172.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.072 . . . . 0.0 110.058 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -131.05 170.11 14.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.507 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 m95 -111.91 97.94 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -96.83 152.6 38.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.92 34.32 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.492 1.785 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.524 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -54.87 -33.78 62.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -66.66 -11.03 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.19 -25.43 10.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.5 112.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.68 3.73 49.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 3.1 m-20 -92.21 33.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.4 -58.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -41.1 -42.43 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.12 -43.87 55.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.5 mt -46.34 -36.15 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.56 95.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -65.4 -62.44 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.74 -54.89 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.14 -53.14 27.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.31 88.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -132.67 -153.33 7.24 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 65.45 6.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.434 1.755 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -56.42 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 110.079 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.41 -58.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.73 158.24 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.12 165.42 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.86 150.03 40.56 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.491 1.12 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -139.11 97.85 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -59.05 5.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.81 -145.92 16.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.395 1.059 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.83 133.83 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 0.808 . . . . 0.0 110.312 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.54 91.38 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t -136.86 123.48 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.03 117.57 15.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.14 117.06 8.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.377 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.82 134.47 55.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -116.07 -34.75 4.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.81 177.5 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 54' ' ' LEU . 9.1 mt -102.38 138.64 39.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -103.77 -35.64 8.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -150.04 160.91 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.8 ttt180 -136.98 120.4 16.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 82.8 mtt180 -158.73 169.73 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 22' ' ' ARG . 1.3 mm -80.49 151.41 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' N ' HG22 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -116.08 -64.84 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 48.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.22 -26.37 23.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.573 1.171 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 152.57 18.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 0.794 . . . . 0.0 110.255 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.66 130.65 36.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 mt-10 -135.78 162.22 33.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 8.1 m-85 -139.93 145.69 38.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.8 mt -69.9 86.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.52 HG12 ' CE2' ' A' ' 32' ' ' TRP . 9.0 p -55.23 149.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 4.4 tptt -110.18 80.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.52 ' CE2' HG12 ' A' ' 30' ' ' VAL . 41.8 m95 -51.04 127.92 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 110.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' A' ' 35' ' ' TRP . . . 82.69 53.03 3.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.47 ' CD1' ' O ' ' A' ' 34' ' ' GLY . 55.3 m95 -152.46 65.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -110.51 85.78 2.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' OE1' ' CE1' ' A' ' 39' ' ' TYR . 22.8 tt0 -161.66 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -163.45 29.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CE1' ' OE1' ' A' ' 37' ' ' GLN . 12.0 m-85 -116.85 50.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.8 p -100.77 167.72 10.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.059 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.7 p -147.33 175.82 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 93.0 m95 -113.44 119.36 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.91 153.92 44.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.04 140.35 25.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -47.54 -24.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.46 -37.14 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' PRO . 41.6 t-20 -76.69 -29.19 56.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 54' ' ' LEU . 48.0 mm -45.43 113.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.94 -5.76 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -94.44 33.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.23 -51.96 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -40.31 -40.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.251 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -74.86 -43.85 52.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 48' ' ' ILE . 51.0 mt -45.52 -37.53 5.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.23 -42.53 81.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.78 -59.54 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -43.13 -47.74 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.49 -58.51 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.363 1.04 . . . . 0.0 110.32 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -47.09 154.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.34 -155.29 7.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 67.24 6.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.92 145.63 1.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.6 p -134.86 99.19 4.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m 64.11 125.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.991 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m 61.02 157.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.87 -82.16 0.74 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.142 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 p -105.95 138.47 42.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -119.62 -57.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.965 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.39 -132.23 2.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.98 166.45 10.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -71.53 97.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.2 t -136.32 126.4 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 10.1 p90 -75.73 150.44 37.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.71 70.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.6 144.52 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -116.74 -35.53 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.56 -177.07 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 28' ' ' TYR . 57.3 mt -108.82 131.43 54.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -99.5 -47.16 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.47 161.9 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.9 ttp85 -143.39 117.54 9.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 5.0 mtt180 -131.14 172.7 11.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 mp -129.19 128.25 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.235 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 61.55 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt 77.22 -56.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.11 -42.05 0.26 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.19 169.72 17.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.6 mtt -121.44 148.06 44.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.554 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 46.2 mt-10 -146.39 157.68 43.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 14.4 m-85 -147.6 144.89 28.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.477 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 1.5 mt -73.6 77.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 32' ' ' TRP . 4.5 p -46.19 146.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 23.5 tptp -105.5 102.43 11.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.458 ' CE2' HG11 ' A' ' 30' ' ' VAL . 40.5 m95 -72.25 119.94 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -70.6 149.16 47.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.45 -65.67 1.05 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -80.96 114.49 19.87 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.35 141.96 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.92 116.39 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.168 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.39 -62.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -89.77 47.29 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.435 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 5.0 m -74.85 -179.41 4.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 14.4 p -147.69 174.26 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.482 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 86.6 m95 -114.62 112.71 23.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -116.96 151.91 48.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.06 140.83 25.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -42.14 -29.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.599 1.187 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.54 -46.05 87.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.0 m-20 -76.4 -29.42 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 54' ' ' LEU . 9.1 mm -57.73 108.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.5 mt -98.36 41.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 42.6 m-20 -120.06 33.27 5.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -39.19 -55.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -38.54 -43.7 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.1 mp -74.03 -56.83 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' CD1' HG22 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -46.64 -36.13 6.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.14 76.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -46.73 25.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.237 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.43 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.06 -54.14 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.94 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.71 -54.03 15.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.39 101.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.56 156.74 24.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 t -151.26 114.34 4.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -46.9 167.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -87.53 123.6 32.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.967 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -162.14 169.51 20.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.19 -90.84 2.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.83 -58.56 0.59 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 109.938 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.11 142.48 36.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.3 107.31 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.63 134.9 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.74 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -57.63 101.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.593 1.183 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.4 t -143.04 128.33 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -61.8 148.81 41.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.86 64.97 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -48.45 146.66 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -121.76 -40.3 2.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.35 -173.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.23 139.62 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -107.54 -33.91 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.95 162.62 41.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -135.02 137.79 43.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -155.38 176.05 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.12 140.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -84.13 -60.36 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.66 51.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.23 -37.64 2.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.3 153.0 18.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.352 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.0 mtt -102.52 139.41 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -136.26 161.65 35.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -140.08 154.19 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.3 mt -79.87 82.29 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' ' 32' ' ' TRP . 4.3 p -51.99 153.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 9.9 tptm -108.73 93.54 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.517 ' CE2' HG13 ' A' ' 30' ' ' VAL . 39.8 m95 -66.63 130.57 43.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 108.025 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -86.32 174.38 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.351 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.46 -61.35 3.21 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.66 130.83 52.64 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -41.95 158.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -50.12 110.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' A' ' 39' ' ' TYR . 3.8 pttt -175.76 161.21 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.392 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CD2' ' HG3' ' A' ' 38' ' ' LYS . 8.0 m-85 36.19 52.08 0.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -74.63 -175.23 2.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 22.8 p -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 86.8 m95 -106.95 100.58 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -106.41 148.95 37.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 147.91 34.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -31.22 6.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.38 -41.39 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -81.75 -33.23 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 mm -53.54 110.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.41 13.22 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 37.4 m-20 -104.08 33.07 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.53 -55.1 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.59 -44.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -70.77 -48.43 54.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 mt -43.85 -30.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.39 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.78 -16.52 64.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.364 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' LEU . 12.2 t80 -73.15 -59.95 2.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.44 -31.96 69.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.52 84.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.74 164.46 48.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 84.26 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -111.02 84.04 1.86 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.611 1.194 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -125.23 115.75 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.3 137.35 53.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.953 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.43 132.96 38.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.052 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.33 96.45 0.93 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.4 p -71.03 97.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -179.0 113.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.048 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.13 -101.64 1.36 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.544 1.153 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 152.58 13.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 0.756 . . . . 0.0 110.354 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.53 148.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -136.96 129.8 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.557 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 78.9 m-85 -53.01 103.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.22 116.03 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -90.93 159.26 16.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -118.23 -37.08 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.39 -174.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 57' ' ' PHE . 15.3 mt -103.37 129.9 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' CD2' ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -100.5 -28.15 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -153.69 161.0 42.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 8.2 ttp180 -140.28 109.85 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -143.77 178.62 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.26 146.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -59.27 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -170.98 36.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.54 -42.89 0.86 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -104.02 156.47 17.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 0.721 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.1 ttm -88.85 127.07 35.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 49.2 mt-10 -120.24 170.84 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 11.3 m-85 -140.27 153.44 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.92 85.76 5.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG13 ' CE2' ' A' ' 32' ' ' TRP . 5.4 p -55.77 145.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.253 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 19.5 tptt -100.91 74.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 11' ' ' PHE . 43.0 m95 -47.28 160.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.979 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' TRP . 1.2 mttt -113.42 124.45 52.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.1 -64.98 0.36 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' LYS . 5.9 p90 -73.59 86.99 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 p -173.58 171.07 3.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.063 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -153.86 45.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.8 -61.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -38.87 -37.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 41' ' ' THR . 45.5 t 48.49 -163.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' OG ' ' A' ' 40' ' ' SER . 40.2 p -141.41 175.09 9.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 85.6 m95 -114.22 111.14 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.6 151.14 43.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.74 29.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -27.63 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.58 -47.91 81.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -77.45 -37.13 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -44.75 115.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -92.89 29.07 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.387 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 10.2 m-20 -117.17 32.78 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.417 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . . . -40.87 -54.64 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -38.67 -41.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -73.16 -49.7 26.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 51' ' ' ALA . 1.4 mt -45.01 -39.16 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -40.11 -47.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 111.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.83 -56.78 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.8 95.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.058 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.25 -145.45 8.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.42 2.01 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.8 88.85 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 p -64.45 146.34 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -70.17 151.44 45.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -120.86 -39.26 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.27 -175.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.684 HD13 ' CD2' ' A' ' 28' ' ' TYR . 13.3 mt -105.27 118.14 35.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -85.73 -29.59 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -153.89 162.37 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -136.75 122.23 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 6.3 mmt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.684 ' CD2' HD13 ' A' ' 16' ' ' LEU . 32.2 m-85 -122.99 140.27 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CB ' ' A' ' 18' ' ' LYS . 4.6 mt -66.04 93.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.787 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -62.46 147.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.753 ' HD3' HD21 ' A' ' 17' ' ' LEU . 46.1 tptt -106.48 87.45 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.787 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.0 p -129.85 174.75 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 85.1 m95 -106.46 99.32 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -90.39 149.96 42.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.47 35.62 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.479 1.778 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.728 ' OE2' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.76 -33.69 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.32 -13.89 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.53 -26.15 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 16' ' ' LEU . 29.7 mm -58.12 104.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.78 8.01 21.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 57.0 m-20 -94.78 33.18 1.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.15 -54.49 2.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.14 -42.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.74 -44.74 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.728 HD13 ' OE2' ' A' ' 45' ' ' GLU . 20.0 mt -45.65 -39.97 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.72 89.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -73.07 -55.26 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.64 -52.87 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 141.86 58.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -117.3 -36.69 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.46 -174.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 57' ' ' PHE . 14.2 mt -107.1 132.01 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.914 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -101.31 -26.4 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.633 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -153.93 162.46 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -143.03 109.99 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' GLU . 2.5 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ARG . 82.6 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.625 ' CD2' HD13 ' A' ' 16' ' ' LEU . 27.2 m-85 -115.3 142.85 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.0 mt -70.91 83.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.808 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.8 p -55.55 144.91 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.914 ' HD3' HD21 ' A' ' 17' ' ' LEU . 10.2 tptp -100.86 89.9 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.808 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 108.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.9 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 p -138.06 162.18 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 86.0 m95 -105.76 98.48 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.12 151.38 37.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.6 36.77 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -50.9 -38.04 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -16.9 32.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -102.89 -33.11 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.449 ' CG2' HD21 ' A' ' 16' ' ' LEU . 25.7 mm -53.23 106.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -86.56 9.7 17.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 54.3 m-20 -95.35 33.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.36 -55.26 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.69 -42.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.37 -46.29 49.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -45.04 -39.62 5.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.07 -44.58 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -74.43 -54.48 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.709 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -42.36 -45.05 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.946 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -55.23 151.8 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -131.32 -44.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.54 175.12 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.787 HD22 ' CB ' ' A' ' 28' ' ' TYR . 16.2 mt -101.52 136.12 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.794 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -101.84 -41.07 6.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.02 159.71 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -141.97 121.99 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 42' ' ' TRP . 8.1 ptt180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.787 ' CB ' HD22 ' A' ' 16' ' ' LEU . 34.4 m-85 -140.46 150.8 44.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -79.57 84.57 5.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' CG2' ' CB ' ' A' ' 13' ' ' ALA . 6.3 p -50.52 147.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.794 ' HD3' HD21 ' A' ' 17' ' ' LEU . 46.3 tptt -109.18 79.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.1 m95 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 p -139.34 170.26 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 85.8 m95 -108.9 117.86 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -119.86 152.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.35 28.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 0.4 OUTLIER -48.29 -31.34 5.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.93 -32.06 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' ILE . 3.5 m-20 -93.12 -34.86 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.581 HD12 HD21 ' A' ' 16' ' ' LEU . 28.2 mm -40.47 108.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -77.07 -3.52 39.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 65.7 m-20 -92.73 33.07 1.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.16 -50.91 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.92 -40.49 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.59 -43.98 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 54' ' ' LEU . 15.1 mt -45.82 -36.53 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.88 -54.46 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.27 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.624 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -39.42 -53.16 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.56 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -118.6 -38.54 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.27 -175.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.62 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.4 mt -105.04 137.15 43.23 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.592 1.183 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.792 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.07 -27.4 11.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.576 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -154.67 161.59 41.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 2.4 ttt180 -135.92 110.64 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 11.6 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CD2' HD13 ' A' ' 16' ' ' LEU . 52.9 m-85 -144.69 145.69 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.576 HD12 ' CB ' ' A' ' 18' ' ' LYS . 5.5 mt -74.09 84.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 p -56.36 145.5 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.792 ' HD3' HD21 ' A' ' 17' ' ' LEU . 29.3 tptt -101.88 81.12 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.4 m95 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.424 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.4 p -136.34 166.85 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 89.6 m95 -101.31 127.22 48.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 108.025 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -129.13 151.1 77.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 144.99 31.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -30.99 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -49.65 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -74.33 -36.37 63.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -50.8 110.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -89.91 11.84 19.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.3 m-20 -100.15 32.06 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.6 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.9 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -42.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -72.02 -46.26 57.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.217 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.1 mt -48.03 -37.15 14.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.25 -59.98 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' PHE . . . -61.39 -56.46 20.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.506 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.2 t80 -37.84 -56.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.16 148.58 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.25 -43.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 110.234 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.8 179.81 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.747 HD13 ' CD2' ' A' ' 28' ' ' TYR . 26.4 mt -104.16 136.68 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.839 HD21 ' HD3' ' A' ' 31' ' ' LYS . 2.7 mt -102.97 -49.57 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.56 161.78 31.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 1.3 ttp180 -145.46 112.75 6.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 38.0 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.747 ' CD2' HD13 ' A' ' 16' ' ' LEU . 24.9 m-85 -139.76 140.57 36.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' A' ' 40' ' ' SER . 1.8 mt -68.06 78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.753 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 p -48.7 149.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.839 ' HD3' HD21 ' A' ' 17' ' ' LEU . 20.7 tptp -105.76 74.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.753 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.589 ' HB2' HD22 ' A' ' 29' ' ' LEU . 7.2 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' HD23 ' A' ' 29' ' ' LEU . 49.4 p -140.07 177.22 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 85.2 m95 -111.5 102.01 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 5.6 mm-40 -101.17 150.92 37.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 144.21 30.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.835 ' OE2' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.14 -35.0 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -10.65 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.3 -23.26 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 50' ' ' ASP . 22.8 mm -58.08 110.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 mt -91.7 21.39 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 22.7 m-20 -113.8 33.15 5.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.46 -53.73 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 -41.39 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.63 1.206 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -74.03 -45.25 50.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 51' ' ' ALA . 6.0 mt -44.89 -38.79 4.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.33 -46.17 83.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -68.43 -57.74 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.577 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.74 -52.09 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.52 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -84.95 138.96 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.75 -41.22 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.94 178.54 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.0 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.4 mt -101.63 107.12 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.815 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.4 mt -73.21 -30.03 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -151.92 163.13 39.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.513 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -141.59 109.73 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 10.7 mtt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.526 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 20.8 mt-10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 1.0 ' CD2' HD13 ' A' ' 16' ' ' LEU . 14.6 m-85 -142.66 150.81 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 41' ' ' THR . 5.7 mt -81.06 81.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.52 HG23 ' HB1' ' A' ' 13' ' ' ALA . 6.6 p -56.55 141.09 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.815 ' HD3' HD21 ' A' ' 17' ' ' LEU . 18.8 tptm -96.13 76.58 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 107.987 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.718 ' HB3' HD22 ' A' ' 29' ' ' LEU . 44.2 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.834 ' O ' HD23 ' A' ' 29' ' ' LEU . 17.2 p -140.04 176.06 9.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 20' ' ' ARG . 76.8 m95 -116.86 106.1 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.76 154.79 37.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 141.46 27.05 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' OE2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -50.37 -32.82 18.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -16.89 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -26.21 12.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.497 HG23 HD21 ' A' ' 16' ' ' LEU . 25.6 mm -57.19 108.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.0 mt -90.66 17.27 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 69.2 m-20 -104.91 33.12 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.81 -54.95 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -42.35 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.14 -46.62 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -44.61 -38.73 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.36 70.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.27 60.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -37.8 -50.09 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -54.46 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.61 -45.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.98 -179.06 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.741 HD22 ' CB ' ' A' ' 28' ' ' TYR . 14.2 mt -109.84 121.74 45.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -94.42 -18.7 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.798 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -162.41 161.73 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 4.2 ttp180 -144.95 110.25 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.559 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 41.0 mt-10 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.741 ' CB ' HD22 ' A' ' 16' ' ' LEU . 8.0 m-85 -143.2 155.02 44.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.7 mt -77.47 84.08 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 32' ' ' TRP . 2.0 p -56.89 144.31 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.699 ' HD3' HD11 ' A' ' 17' ' ' LEU . 13.8 tptp -103.98 72.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.576 ' CE2' HG11 ' A' ' 30' ' ' VAL . 39.7 m95 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 107.978 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.437 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.719 ' O ' HD23 ' A' ' 29' ' ' LEU . 60.4 p -141.11 -177.02 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -111.58 109.19 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 79.7 mm-40 -98.89 151.49 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.33 30.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -55.66 -18.51 8.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -81.14 -10.15 59.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -106.15 -32.96 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.484 ' CG2' HD11 ' A' ' 54' ' ' LEU . 47.5 mm -41.94 110.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -91.37 2.65 56.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.125 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -102.61 33.51 3.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.77 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.18 -51.99 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -39.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.062 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.56 -45.2 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 51' ' ' ALA . 27.1 mt -44.35 -36.64 2.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.32 73.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.6 55.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -45.32 -55.19 6.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -55.19 155.93 4.5 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -122.68 -40.6 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.44 -178.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.669 HD13 ' CD2' ' A' ' 28' ' ' TYR . 15.7 mt -105.44 111.76 24.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.876 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -76.05 -41.98 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -143.16 166.6 24.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.1 ttt180 -137.07 129.93 30.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD2' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mtt-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 16.4 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.669 ' CD2' HD13 ' A' ' 16' ' ' LEU . 16.2 m-85 -145.13 143.86 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 41' ' ' THR . 3.7 mt -70.05 79.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.429 HG23 ' HB1' ' A' ' 13' ' ' ALA . 7.8 p -50.68 148.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.876 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.6 tptt -106.01 88.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.0 m95 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.718 ' O ' HD23 ' A' ' 29' ' ' LEU . 75.7 p -145.57 -175.92 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.552 ' CH2' ' HD2' ' A' ' 20' ' ' ARG . 89.4 m95 -112.25 112.5 24.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.026 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.67 152.96 44.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.49 23.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -35.81 3.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.78 -50.25 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.54 -39.99 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.6 mm -42.28 116.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.57 24.67 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.567 ' H ' HG22 ' A' ' 48' ' ' ILE . 26.7 m-20 -113.74 33.06 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.491 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -41.16 -54.44 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -38.84 -40.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.08 -50.12 21.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -44.59 -37.37 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -63.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.55 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -42.64 -59.48 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -134.41 -45.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.43 -176.86 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' HD2' ' A' ' 57' ' ' PHE . 15.9 mt -103.82 135.74 44.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.908 HD21 ' HD3' ' A' ' 31' ' ' LYS . 3.2 mt -104.27 -32.8 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.563 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -147.48 162.69 38.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 3.5 ttp180 -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.817 ' CD2' HD13 ' A' ' 16' ' ' LEU . 46.2 m-85 -142.02 139.44 32.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' HB2' ' A' ' 18' ' ' LYS . 3.5 mt -70.15 81.77 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.558 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 8.4 p -52.01 147.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.908 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.4 tptp -101.99 88.47 3.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' HD22 ' A' ' 29' ' ' LEU . 14.4 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.412 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 33.3 p -134.87 167.68 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.458 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 91.1 m95 -107.13 105.04 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -104.25 150.91 38.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 146.97 33.13 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -29.57 21.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -11.19 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -109.41 -29.88 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mm -56.67 106.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 mt -87.31 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 45.8 m-20 -98.48 33.05 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.5 -55.11 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -38.6 -42.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.52 41.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 51' ' ' ALA . 3.7 mt -44.89 -38.27 4.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.36 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.315 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.89 86.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.826 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -52.09 -53.27 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.335 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -52.22 151.75 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.74 -41.61 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.2 -176.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.921 HD13 ' CD2' ' A' ' 28' ' ' TYR . 11.7 mt -99.03 136.87 38.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.809 HD21 ' HD3' ' A' ' 31' ' ' LYS . 4.4 mt -106.07 -28.76 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HB2' HD12 ' A' ' 29' ' ' LEU . 1.9 ttmm -151.32 159.17 44.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -147.68 117.5 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.566 ' HG2' ' CH2' ' A' ' 42' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 67.1 mt-10 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.921 ' CD2' HD13 ' A' ' 16' ' ' LEU . 6.9 m-85 -135.58 147.37 48.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.552 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 9.2 mt -74.68 86.95 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.77 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.7 p -55.44 145.34 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.809 ' HD3' HD21 ' A' ' 17' ' ' LEU . 28.7 tptt -101.16 94.66 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.77 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.4 m95 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 107.969 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.406 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 29' ' ' LEU . 24.2 p -124.0 163.12 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 91.6 m95 -112.21 97.5 6.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -92.5 152.02 41.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.3 26.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.663 ' OE2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.31 -36.03 40.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.73 -11.66 47.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -108.29 -25.52 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.486 HD12 ' CD2' ' A' ' 16' ' ' LEU . 20.9 mm -51.76 108.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.8 mt -89.98 16.44 8.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 41.9 m-20 -104.39 32.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.44 -54.74 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -42.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.45 -45.85 51.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.9 mt -45.16 -37.64 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.85 -43.0 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -75.1 -61.04 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.675 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -42.51 -48.12 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -81.53 146.49 30.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.66 -38.7 2.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.79 -176.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.925 HD13 ' CD2' ' A' ' 28' ' ' TYR . 38.4 mt -107.42 120.57 42.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.762 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -87.09 -15.63 37.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.619 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -165.75 162.41 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -133.36 126.86 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.544 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 2.4 mtt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.925 ' CD2' HD13 ' A' ' 16' ' ' LEU . 55.0 m-85 -141.36 159.63 41.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 18' ' ' LYS . 6.3 mt -86.72 90.73 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.577 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 10.0 p -58.92 145.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.762 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.0 tptm -107.08 79.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.577 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p -141.64 167.44 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 82.9 m95 -106.85 114.68 28.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -115.96 151.23 46.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 110.232 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.41 31.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -32.21 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.87 -31.8 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -93.4 -36.05 12.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.25 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.468 HD12 HD21 ' A' ' 16' ' ' LEU . 23.6 mm -41.89 113.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.59 7.29 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 21.4 m-20 -105.35 33.21 3.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.84 -53.18 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -39.88 -41.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.47 -44.95 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 54' ' ' LEU . 19.9 mt -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -60.81 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.28 -60.59 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.604 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -37.89 -52.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -44.61 153.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.49 -44.02 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.228 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' OD2' ' A' ' 50' ' ' ASP . . . -163.45 -179.81 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.778 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.1 mt -109.65 123.84 50.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.899 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -89.43 -37.88 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -143.75 163.55 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 2.2 ttt180 -141.44 119.2 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' ARG . 9.1 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.778 ' CD2' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 -140.83 137.93 33.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.1 mt -67.23 79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' HB1' ' A' ' 13' ' ' ALA . 7.5 p -49.72 150.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.899 ' HD3' HD21 ' A' ' 17' ' ' LEU . 27.6 tptt -110.6 83.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.432 ' NE1' ' OG1' ' A' ' 41' ' ' THR . 40.9 m95 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 107.98 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.432 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 34.4 p -134.42 168.48 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 82.8 m95 -106.68 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 49.2 mm-40 -133.6 151.02 76.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.4 Cg_endo -75.01 140.02 24.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -45.08 -27.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 1.063 . . . . 0.0 110.251 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.56 -40.55 97.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.4 m-20 -83.18 -33.31 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.548 ' HB ' HD11 ' A' ' 54' ' ' LEU . 46.8 mm -44.61 113.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.377 1.048 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -83.8 -3.71 58.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 68.5 m-20 -92.69 33.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.03 -55.37 2.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.7 -44.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -71.15 -47.5 57.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.548 HD11 ' HB ' ' A' ' 48' ' ' ILE . 14.7 mt -43.2 -36.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.15 -53.09 58.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.04 99.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.579 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -51.99 -52.26 51.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.05 131.83 19.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -113.99 -33.65 5.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -175.53 -177.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 48' ' ' ILE . 13.2 mt -107.03 139.36 41.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -105.56 -33.39 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.559 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -147.27 166.98 25.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -144.53 109.86 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.226 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CB ' HD22 ' A' ' 16' ' ' LEU . 18.1 m-85 -136.99 137.92 39.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 18' ' ' LYS . 2.4 mt -65.38 88.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -56.58 146.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HD3' HD21 ' A' ' 17' ' ' LEU . 9.9 tptm -108.45 98.48 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.7 m95 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 108.015 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.425 ' O ' HD23 ' A' ' 29' ' ' LEU . 72.9 p -138.86 -179.52 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 84.9 m95 -109.9 99.1 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.22 147.17 34.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.72 38.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.81 -16.83 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -81.56 -2.55 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -135.74 41.64 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 16' ' ' LEU . 19.9 mm -101.54 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.11 -16.46 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -91.89 33.48 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.15 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.12 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -77.89 -35.95 50.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.418 1.074 . . . . 0.0 109.398 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.742 ' CG ' HG21 ' A' ' 48' ' ' ILE . 23.2 mt -49.78 -39.83 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.95 73.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.6 -66.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -38.37 -50.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.597 1.186 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.57 137.8 46.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.204 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -117.72 -46.31 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -161.68 -174.03 4.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.563 HD21 ' OD2' ' A' ' 50' ' ' ASP . 9.6 mt -110.13 141.05 43.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.7 mt -104.84 -34.43 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.541 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 2.1 ttp85 -142.17 112.67 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 52.1 mt-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' CD ' ' A' ' 19' ' ' ARG . 5.1 m-85 -124.47 149.1 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 41' ' ' THR . 3.0 mt -76.32 85.67 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.06 152.16 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD3' HD21 ' A' ' 17' ' ' LEU . 32.3 tptt -111.34 87.47 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.7 m95 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.044 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.549 ' O ' HD23 ' A' ' 29' ' ' LEU . 73.8 p -141.17 -178.25 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 110.4 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 82.1 m95 -106.88 106.28 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 6.1 mm-40 -99.02 150.96 37.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 144.94 30.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.538 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -53.18 -27.85 23.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.75 -12.24 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 1.057 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -105.19 -27.78 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.575 ' CG2' HD11 ' A' ' 54' ' ' LEU . 39.1 mm -49.08 116.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -96.63 1.24 50.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.563 ' OD2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -100.94 33.19 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.865 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.17 -52.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.73 -40.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.13 -45.34 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 51' ' ' ALA . 18.3 mt -44.12 -38.11 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.81 80.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.75 -51.34 19.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.7 t80 -49.18 -59.41 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -56.79 152.22 12.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.19 -42.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.4 -179.05 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.843 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.7 mt -101.13 128.9 47.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.846 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.2 mt -97.57 -29.84 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.537 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -156.13 161.19 40.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 4.6 ttt180 -136.84 117.79 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 1.9 mmt180 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 55.6 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.843 ' CD2' HD13 ' A' ' 16' ' ' LEU . 9.6 m-85 -136.96 143.25 42.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.196 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD12 ' CB ' ' A' ' 18' ' ' LYS . 4.2 mt -68.45 86.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.416 HG23 ' HB1' ' A' ' 13' ' ' ALA . 6.0 p -62.38 144.17 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.846 ' HD3' HD21 ' A' ' 17' ' ' LEU . 22.4 tptm -99.26 101.98 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.6 m95 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 107.99 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 p -138.14 175.08 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 95.6 m95 -105.48 119.98 40.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 55.9 mm-40 -117.4 151.52 48.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.96 25.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -49.83 -30.85 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -23.57 66.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -98.03 -30.06 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -50.46 108.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.16 19.43 5.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 44.5 m-20 -105.9 33.19 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -39.76 -54.74 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.9 mtt180 -38.5 -42.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.93 38.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 51' ' ' ALA . 4.1 mt -44.81 -37.53 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.23 60.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -56.19 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -41.73 -54.3 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.279 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.81 140.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -123.97 -41.89 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.84 -176.68 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.589 HD12 ' HD2' ' A' ' 57' ' ' PHE . 21.1 mt -106.33 137.37 44.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.913 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.8 mt -106.05 -33.34 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.625 ' HB2' HD12 ' A' ' 29' ' ' LEU . 2.0 ttpp -141.05 160.67 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 15.5 ttp180 -146.37 112.39 5.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 12.1 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 15.5 m-85 -144.33 154.31 42.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.9 mt -86.09 89.8 7.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.774 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 9.6 p -59.94 147.79 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.913 ' HD3' HD21 ' A' ' 17' ' ' LEU . 15.5 tptp -102.7 87.68 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.774 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.9 m95 . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -131.05 170.11 14.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.508 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 m95 -111.91 97.94 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -96.83 152.6 38.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.92 34.32 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.492 1.785 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -54.87 -33.78 62.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -66.66 -11.03 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.19 -25.43 10.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.5 112.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.68 3.73 49.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 3.1 m-20 -92.21 33.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.4 -58.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -41.1 -42.43 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.12 -43.87 55.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 54' ' ' LEU . 16.5 mt -46.34 -36.15 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.56 95.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -65.4 -62.44 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.589 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -38.74 -54.89 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.055 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.82 134.47 55.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -116.07 -34.75 4.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.81 177.5 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.832 HD22 ' CB ' ' A' ' 28' ' ' TYR . 9.1 mt -102.38 138.64 39.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.76 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -103.77 -35.64 8.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -150.04 160.91 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 4.8 ttt180 -136.98 120.4 16.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 82.8 mtt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 mt-10 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.832 ' CB ' HD22 ' A' ' 16' ' ' LEU . 8.1 m-85 -139.93 145.69 38.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 41' ' ' THR . 2.8 mt -69.9 86.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.23 149.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.76 ' HD3' HD21 ' A' ' 17' ' ' LEU . 4.4 tptt -110.18 80.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.426 ' HB2' HD22 ' A' ' 29' ' ' LEU . 96.8 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.526 ' O ' HD23 ' A' ' 29' ' ' LEU . 41.7 p -147.33 175.82 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.507 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 93.0 m95 -113.44 119.36 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.91 153.92 44.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.04 140.35 25.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -47.54 -24.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.46 -37.14 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' PRO . 41.6 t-20 -76.69 -29.19 56.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 HD21 ' A' ' 16' ' ' LEU . 48.0 mm -45.43 113.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.94 -5.76 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -94.44 33.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.23 -51.96 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -40.31 -40.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.251 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.86 -43.85 52.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 51' ' ' ALA . 51.0 mt -45.52 -37.53 5.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.23 -42.53 81.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.78 -59.54 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.478 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -43.13 -47.74 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.363 1.04 . . . . 0.0 110.32 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -50.6 144.52 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -116.74 -35.53 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.56 -177.07 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 28' ' ' TYR . 57.3 mt -108.82 131.43 54.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.928 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -99.5 -47.16 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -128.47 161.9 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.431 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.9 ttp85 -143.39 117.54 9.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 5.0 mtt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.554 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 46.2 mt-10 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 16' ' ' LEU . 14.4 m-85 -147.6 144.89 28.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.5 mt -73.6 77.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG23 ' HB1' ' A' ' 13' ' ' ALA . 4.5 p -46.19 146.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.928 ' HD3' HD21 ' A' ' 17' ' ' LEU . 23.5 tptp -105.5 102.43 11.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 40.5 m95 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.973 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HB3' HD22 ' A' ' 29' ' ' LEU . 5.0 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.531 ' O ' HD23 ' A' ' 29' ' ' LEU . 14.4 p -147.69 174.26 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 86.6 m95 -114.62 112.71 23.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -116.96 151.91 48.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.06 140.83 25.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -42.14 -29.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.599 1.187 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.54 -46.05 87.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.0 m-20 -76.4 -29.42 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.865 ' CG2' HD11 ' A' ' 54' ' ' LEU . 9.1 mm -57.73 108.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.5 mt -98.36 41.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 42.6 m-20 -120.06 33.27 5.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -39.19 -55.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -38.54 -43.7 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.1 mp -74.03 -56.83 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.865 HD11 ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -46.64 -36.13 6.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.14 76.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -46.73 25.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.237 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.431 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.06 -54.14 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.94 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -48.45 146.66 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -121.76 -40.3 2.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.35 -173.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.7 mt -107.23 139.62 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.924 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -107.54 -33.91 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.95 162.62 41.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.562 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 5.2 ttt-85 -135.02 137.79 43.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.644 ' CD2' HD13 ' A' ' 16' ' ' LEU . 40.3 m-85 -140.08 154.19 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.3 mt -79.87 82.29 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.754 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 4.3 p -51.99 153.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.924 ' HD3' HD21 ' A' ' 17' ' ' LEU . 9.9 tptm -108.73 93.54 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.754 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 108.025 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 22.8 p -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 86.8 m95 -106.95 100.58 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -106.41 148.95 37.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 147.91 34.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -31.22 6.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.38 -41.39 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -81.75 -33.23 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.3 mm -53.54 110.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.41 13.22 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 37.4 m-20 -104.08 33.07 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.53 -55.1 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.59 -44.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -70.77 -48.43 54.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' A' ' 16' ' ' LEU . 1.2 mt -43.85 -30.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.39 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.78 -16.52 64.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.364 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' LEU . 12.2 t80 -73.15 -59.95 2.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.297 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -90.93 159.26 16.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 28.9 tt0 -118.23 -37.08 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' GLU . . . 178.39 -174.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' A' ' 57' ' ' PHE . 15.3 mt -103.37 129.9 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.825 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -100.5 -28.15 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -153.69 161.0 42.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 8.2 ttp180 -140.28 109.85 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 49.2 mt-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.681 ' CD2' HD13 ' A' ' 16' ' ' LEU . 11.3 m-85 -140.27 153.44 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 41' ' ' THR . 5.4 mt -79.92 85.76 5.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 32' ' ' TRP . 5.4 p -55.77 145.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.253 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.825 ' HD3' HD21 ' A' ' 17' ' ' LEU . 19.5 tptt -100.91 74.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.626 ' CE2' HG11 ' A' ' 30' ' ' VAL . 43.0 m95 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.979 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.648 ' HB3' HD22 ' A' ' 29' ' ' LEU . 45.5 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.663 ' O ' HD23 ' A' ' 29' ' ' LEU . 40.2 p -141.41 175.09 9.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 85.6 m95 -114.22 111.14 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.6 151.14 43.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.74 29.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -27.63 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.58 -47.91 81.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -77.45 -37.13 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.5 mm -44.75 115.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -92.89 29.07 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.387 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.566 ' H ' HG22 ' A' ' 48' ' ' ILE . 10.2 m-20 -117.17 32.78 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.87 -54.64 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -38.67 -41.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -73.16 -49.7 26.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.4 mt -45.01 -39.16 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.799 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -40.11 -47.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 111.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.34 103.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.032 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -171.59 160.1 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.42 176.04 52.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -115.9 82.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -175.69 102.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 109.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.43 -74.24 0.21 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -45.23 138.84 3.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.49 104.55 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -137.49 127.72 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 49.6 p90 -83.97 169.18 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -179.26 92.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -70.17 151.44 45.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -120.86 -39.26 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.27 -175.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD13 ' CD2' ' A' ' 28' ' ' TYR . 13.3 mt -105.27 118.14 35.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -85.73 -29.59 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.566 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -153.89 162.37 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -136.75 122.23 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 6.3 mmt180 -140.18 176.66 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 25' ' ' ARG . 3.7 mp -131.04 145.49 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -95.58 -58.75 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.225 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -171.19 51.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.231 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.23 -38.96 2.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 21' ' ' ILE . 4.7 mtt85 -87.42 148.2 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.436 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -102.2 106.5 17.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -100.18 136.45 40.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.118 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.684 ' CD2' HD13 ' A' ' 16' ' ' LEU . 32.2 m-85 -122.99 140.27 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CB ' ' A' ' 18' ' ' LYS . 4.6 mt -66.04 93.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.787 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -62.46 147.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.753 ' HD3' HD21 ' A' ' 17' ' ' LEU . 46.1 tptt -106.48 87.45 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.787 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 -59.89 114.98 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.72 179.77 5.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.54 -69.82 1.14 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.417 1.073 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' O ' ' CD1' ' A' ' 35' ' ' TRP . 0.1 OUTLIER -113.43 141.46 47.06 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.8 p -122.42 58.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.64 133.58 43.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 76.39 175.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -85.92 14.92 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t 73.12 -165.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.0 p -129.85 174.75 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 85.1 m95 -106.46 99.32 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -90.39 149.96 42.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.47 35.62 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.479 1.778 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.728 ' OE2' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.76 -33.69 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.32 -13.89 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.53 -26.15 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 16' ' ' LEU . 29.7 mm -58.12 104.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.78 8.01 21.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 57.0 m-20 -94.78 33.18 1.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.15 -54.49 2.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.14 -42.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.74 -44.74 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.728 HD13 ' OE2' ' A' ' 45' ' ' GLU . 20.0 mt -45.65 -39.97 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.72 89.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -73.07 -55.26 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.64 -52.87 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.62 -54.1 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.5 126.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.88 178.05 44.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.444 1.76 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.68 -53.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.3 p 39.51 90.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 109.941 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t 40.57 81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 m 49.48 92.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.95 -175.81 50.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -137.93 165.66 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.01 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -127.34 130.55 49.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.54 -165.59 29.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.597 1.186 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -40.46 114.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -99.84 101.9 13.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.4 t 62.02 145.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.238 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -86.88 168.13 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 111.054 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -179.43 72.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 141.86 58.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -117.3 -36.69 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.46 -174.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 57' ' ' PHE . 14.2 mt -107.1 132.01 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.914 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -101.31 -26.4 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.633 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -153.93 162.46 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -143.03 109.99 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -142.82 172.97 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' ARG . 3.7 mp -102.03 127.88 55.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -69.04 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 2.2 tttt -165.79 44.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.85 -37.0 1.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -112.53 167.3 10.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.2 mtt -97.56 122.45 40.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -116.81 140.43 49.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.625 ' CD2' HD13 ' A' ' 16' ' ' LEU . 27.2 m-85 -115.3 142.85 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.0 mt -70.91 83.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.808 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.8 p -55.55 144.91 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.914 ' HD3' HD21 ' A' ' 17' ' ' LEU . 10.2 tptp -100.86 89.9 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.808 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 -62.21 145.74 52.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 108.033 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -103.41 119.89 39.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.24 -65.17 0.52 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -83.88 132.04 34.82 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.69 160.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 3.7 tt0 -51.78 99.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 165.1 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.251 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LYS . 27.9 m-85 35.88 48.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.9 m -87.62 -179.15 6.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 p -138.06 162.18 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 86.0 m95 -105.76 98.48 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.12 151.38 37.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.6 36.77 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -50.9 -38.04 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -16.9 32.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -102.89 -33.11 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.449 ' CG2' HD21 ' A' ' 16' ' ' LEU . 25.7 mm -53.23 106.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -86.56 9.7 17.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 54.3 m-20 -95.35 33.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.36 -55.26 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.69 -42.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.37 -46.29 49.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -45.04 -39.62 5.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.07 -44.58 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -74.43 -54.48 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.709 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -42.36 -45.05 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.946 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.85 -58.8 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -139.04 130.65 27.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.23 157.29 27.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.55 22.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -110.62 79.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.952 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 p -47.01 -33.03 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.514 1.134 . . . . 0.0 110.937 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -132.3 -58.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.83 85.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.05 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.23 -117.3 1.35 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.16 88.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.68 -58.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.19 -100.01 1.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 40.56 73.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 110.234 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.78 101.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -128.94 118.95 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' HB3' ' CE2' ' A' ' 35' ' ' TRP . 51.0 p90 -43.41 131.42 4.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.04 112.47 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -55.23 151.8 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -131.32 -44.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.54 175.12 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.787 HD22 ' CB ' ' A' ' 28' ' ' TYR . 16.2 mt -101.52 136.12 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.794 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -101.84 -41.07 6.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.02 159.71 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -141.97 121.99 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 42' ' ' TRP . 8.1 ptt180 -171.06 -173.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.32 145.44 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -91.99 -50.14 5.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.84 38.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.11 -41.94 0.79 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.65 -179.57 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.767 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.75 152.39 18.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -155.32 177.88 10.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.787 ' CB ' HD22 ' A' ' 16' ' ' LEU . 34.4 m-85 -140.46 150.8 44.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -79.57 84.57 5.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' CG2' ' CB ' ' A' ' 13' ' ' ALA . 6.3 p -50.52 147.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.794 ' HD3' HD21 ' A' ' 17' ' ' LEU . 46.3 tptt -109.18 79.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -48.39 145.65 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 109.77 21.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.63 54.96 8.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.457 ' CE2' ' HB3' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -165.97 122.38 1.34 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.23 63.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -76.84 159.51 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.39 -60.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -86.79 49.77 1.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -161.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 p -139.34 170.26 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 85.8 m95 -108.9 117.86 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -119.86 152.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.35 28.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 0.4 OUTLIER -48.29 -31.34 5.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.93 -32.06 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' ILE . 3.5 m-20 -93.12 -34.86 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.581 HD12 HD21 ' A' ' 16' ' ' LEU . 28.2 mm -40.47 108.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -77.07 -3.52 39.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 65.7 m-20 -92.73 33.07 1.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.16 -50.91 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.92 -40.49 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.59 -43.98 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 54' ' ' LEU . 15.1 mt -45.82 -36.53 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.88 -54.46 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.27 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.624 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -39.42 -53.16 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.62 -58.95 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 t -178.62 127.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.86 -176.34 50.11 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 81.26 2.26 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 132.45 53.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.71 139.85 30.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.443 1.09 . . . . 0.0 111.01 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -42.6 159.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 0.0 109.966 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -161.66 128.79 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 110.002 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.51 156.64 12.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -159.11 136.63 10.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 110.05 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.05 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.076 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.17 -177.7 4.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -77.63 150.12 34.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.35 77.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t -133.05 123.82 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 8.9 p90 -62.55 129.93 42.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.0 87.19 2.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.56 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -118.6 -38.54 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.27 -175.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.62 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.4 mt -105.04 137.15 43.23 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.592 1.183 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.792 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.07 -27.4 11.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.576 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -154.67 161.59 41.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 2.4 ttt180 -135.92 110.64 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -143.77 177.29 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 25' ' ' ARG . 58.8 mt -99.17 141.53 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -64.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.31 48.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.07 -40.11 1.38 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 21' ' ' ILE . 7.4 mtt180 -112.05 171.8 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 110.267 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.89 153.21 21.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 11.6 mt-10 -149.16 169.08 21.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CD2' HD13 ' A' ' 16' ' ' LEU . 52.9 m-85 -144.69 145.69 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD12 ' CB ' ' A' ' 18' ' ' LYS . 5.5 mt -74.09 84.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 p -56.36 145.5 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.792 ' HD3' HD21 ' A' ' 17' ' ' LEU . 29.3 tptt -101.88 81.12 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 11' ' ' PHE . 41.4 m95 -48.97 154.8 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -115.29 130.73 56.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.79 64.15 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -145.01 -56.96 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.3 t -178.68 74.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' C ' ' CG ' ' A' ' 38' ' ' LYS . 3.5 mp0 -63.94 76.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.0 OUTLIER 171.26 -41.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -92.72 32.76 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.424 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -44.81 168.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.4 p -136.34 166.85 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 89.6 m95 -101.31 127.22 48.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 108.025 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -129.13 151.1 77.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 144.99 31.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -30.99 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -49.65 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -74.33 -36.37 63.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -50.8 110.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -89.91 11.84 19.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.3 m-20 -100.15 32.06 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.6 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.9 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -42.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -72.02 -46.26 57.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.217 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.1 mt -48.03 -37.15 14.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.25 -59.98 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' PHE . . . -61.39 -56.46 20.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.506 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.2 t80 -37.84 -56.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.63 -54.85 41.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.64 98.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.48 -149.95 5.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.169 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.77 3.87 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.02 113.38 25.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.1 p -177.21 118.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -140.51 124.4 17.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -118.55 136.55 53.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.34 101.77 0.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.074 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t 46.86 81.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 0.77 . . . . 0.0 109.936 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.509 ' HB2' HG21 ' A' ' 10' ' ' VAL . 61.4 m -99.74 -56.51 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.64 -130.4 1.11 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.41 120.04 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 49.14 83.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 10' ' ' VAL . 49.0 t -91.61 42.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -38.83 158.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.04 66.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.16 148.58 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.25 -43.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 110.234 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.8 179.81 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.747 HD13 ' CD2' ' A' ' 28' ' ' TYR . 26.4 mt -104.16 136.68 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.839 HD21 ' HD3' ' A' ' 31' ' ' LYS . 2.7 mt -102.97 -49.57 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.56 161.78 31.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 1.3 ttp180 -145.46 112.75 6.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -147.93 177.29 9.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.43 133.05 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.85 -65.72 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.36 -63.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.82 24.45 0.82 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -119.79 148.82 42.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 0.802 . . . . 0.0 110.239 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.94 111.38 23.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 38.0 mt-10 -125.56 161.54 26.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.747 ' CD2' HD13 ' A' ' 16' ' ' LEU . 24.9 m-85 -139.76 140.57 36.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' A' ' 40' ' ' SER . 1.8 mt -68.06 78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.753 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 p -48.7 149.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.839 ' HD3' HD21 ' A' ' 17' ' ' LEU . 20.7 tptp -105.76 74.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.753 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 -47.82 142.77 4.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -57.61 -179.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.47 -25.54 2.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 0.0 OUTLIER -50.37 -31.54 15.01 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.499 ' HB3' ' CD1' ' A' ' 35' ' ' TRP . 1.0 OUTLIER -150.14 103.67 3.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -98.12 -56.84 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.55 34.68 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.198 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -144.07 55.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.589 ' HB2' HD22 ' A' ' 29' ' ' LEU . 7.2 p -81.06 161.67 24.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' HD23 ' A' ' 29' ' ' LEU . 49.4 p -140.07 177.22 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 85.2 m95 -111.5 102.01 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 5.6 mm-40 -101.17 150.92 37.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 144.21 30.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.835 ' OE2' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.14 -35.0 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -10.65 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.3 -23.26 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 50' ' ' ASP . 22.8 mm -58.08 110.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 mt -91.7 21.39 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 22.7 m-20 -113.8 33.15 5.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.46 -53.73 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 -41.39 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.63 1.206 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -74.03 -45.25 50.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 51' ' ' ALA . 6.0 mt -44.89 -38.79 4.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.33 -46.17 83.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -68.43 -57.74 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.577 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.74 -52.09 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.41 -50.19 41.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 m -127.22 96.33 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.76 -170.21 3.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 99.86 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.5 p -129.13 150.65 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.85 158.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.044 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -176.88 147.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 p -125.55 90.64 3.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.947 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.0 -147.37 5.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -151.04 -48.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 0.736 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.29 134.91 16.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.06 -168.77 33.56 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 65.99 104.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.252 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.69 91.5 3.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -135.57 127.82 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -76.87 131.66 38.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.69 103.97 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.361 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.52 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -84.95 138.96 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.75 -41.22 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.94 178.54 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.0 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.4 mt -101.63 107.12 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.815 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.4 mt -73.21 -30.03 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -151.92 163.13 39.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.513 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -141.59 109.73 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 10.7 mtt180 -146.46 173.77 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.9 mt -91.62 148.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.14 62.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? 45.68 33.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.85 -86.6 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.28 160.28 14.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.436 0.727 . . . . 0.0 110.327 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.1 mtt -67.42 152.6 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 20.8 mt-10 -152.16 169.44 22.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 1.0 ' CD2' HD13 ' A' ' 16' ' ' LEU . 14.6 m-85 -142.66 150.81 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 41' ' ' THR . 5.7 mt -81.06 81.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.52 HG23 ' HB1' ' A' ' 13' ' ' ALA . 6.6 p -56.55 141.09 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.815 ' HD3' HD21 ' A' ' 17' ' ' LEU . 18.8 tptm -96.13 76.58 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 -44.61 148.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -121.04 111.72 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.28 -62.62 0.46 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.49 ' CD1' ' C ' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -127.48 165.82 19.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 t -178.72 126.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.62 -59.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -179.17 -69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -97.82 30.77 2.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.718 ' HB3' HD22 ' A' ' 29' ' ' LEU . 44.2 t 64.65 -165.08 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.834 ' O ' HD23 ' A' ' 29' ' ' LEU . 17.2 p -140.04 176.06 9.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 20' ' ' ARG . 76.8 m95 -116.86 106.1 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.76 154.79 37.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 141.46 27.05 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' OE2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -50.37 -32.82 18.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -16.89 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -26.21 12.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.497 HG23 HD21 ' A' ' 16' ' ' LEU . 25.6 mm -57.19 108.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.0 mt -90.66 17.27 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 69.2 m-20 -104.91 33.12 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.81 -54.95 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -42.35 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.14 -46.62 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -44.61 -38.73 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.36 70.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.27 60.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -37.8 -50.09 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.72 -57.43 3.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.82 167.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.74 -177.34 53.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.049 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 119.59 5.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.0 p -136.3 154.23 50.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.597 1.185 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -152.13 121.48 6.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 0.777 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m 65.45 86.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.64 155.55 17.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.567 1.167 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.72 91.95 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.0 85.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.16 144.74 0.16 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.76 83.89 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -104.7 87.38 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.9 t -140.82 128.27 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -94.99 153.19 17.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.69 124.6 4.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -54.46 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.61 -45.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.98 -179.06 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD22 ' CB ' ' A' ' 28' ' ' TYR . 14.2 mt -109.84 121.74 45.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -94.42 -18.7 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.798 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -162.41 161.73 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 4.2 ttp180 -144.95 110.25 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -142.05 172.99 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.751 HG23 ' O ' ' A' ' 25' ' ' ARG . 55.5 mt -115.88 133.93 60.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -80.78 -70.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.66 -70.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.37 25.19 1.86 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.751 ' O ' HG23 ' A' ' 21' ' ' ILE . 1.5 mtt-85 -125.73 158.67 34.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 110.383 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.63 114.79 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.559 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 41.0 mt-10 -122.62 164.51 18.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.741 ' CB ' HD22 ' A' ' 16' ' ' LEU . 8.0 m-85 -143.2 155.02 44.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.7 mt -77.47 84.08 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 32' ' ' TRP . 2.0 p -56.89 144.31 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.699 ' HD3' HD11 ' A' ' 17' ' ' LEU . 13.8 tptp -103.98 72.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.576 ' CE2' HG11 ' A' ' 30' ' ' VAL . 39.7 m95 -43.61 142.23 1.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 107.978 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -86.74 127.71 34.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.39 56.2 1.96 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.454 ' CD1' ' C ' ' A' ' 35' ' ' TRP . 0.1 OUTLIER -169.59 127.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t 41.73 69.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 5.0 pt20 -93.03 61.35 3.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.168 . . . . 0.0 110.309 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 pttp 174.76 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.55 50.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.437 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -54.73 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.719 ' O ' HD23 ' A' ' 29' ' ' LEU . 60.4 p -141.11 -177.02 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -111.58 109.19 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 79.7 mm-40 -98.89 151.49 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.33 30.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -55.66 -18.51 8.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -81.14 -10.15 59.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -106.15 -32.96 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.484 ' CG2' HD11 ' A' ' 54' ' ' LEU . 47.5 mm -41.94 110.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -91.37 2.65 56.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.125 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -102.61 33.51 3.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.77 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.18 -51.99 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -39.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.062 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.56 -45.2 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 51' ' ' ALA . 27.1 mt -44.35 -36.64 2.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.32 73.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.6 55.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -45.32 -55.19 6.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.98 -54.59 17.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.39 174.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.55 -147.28 16.49 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 74.23 4.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 p -109.48 172.17 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.3 m -108.78 -57.63 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.81 170.06 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.77 162.87 28.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.71 95.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' GLY . 13.7 t -128.09 -53.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 m 67.02 -71.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -146.22 -103.1 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -129.43 91.97 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.27 91.26 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.7 t -133.42 125.25 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 34.1 p90 -78.66 137.15 37.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.18 87.42 0.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -55.19 155.93 4.5 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -122.68 -40.6 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.44 -178.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.669 HD13 ' CD2' ' A' ' 28' ' ' TYR . 15.7 mt -105.44 111.76 24.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.876 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -76.05 -41.98 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -143.16 166.6 24.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.1 ttt180 -137.07 129.93 30.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD2' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mtt-85 -155.4 172.62 17.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 25' ' ' ARG . 4.2 mp -110.08 142.64 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -87.25 -57.17 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.63 51.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.09 -39.38 1.82 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -99.96 158.88 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 110.288 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.67 131.07 39.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 16.4 mt-10 -122.81 160.69 25.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.669 ' CD2' HD13 ' A' ' 16' ' ' LEU . 16.2 m-85 -145.13 143.86 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 41' ' ' THR . 3.7 mt -70.05 79.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.429 HG23 ' HB1' ' A' ' 13' ' ' ALA . 7.8 p -50.68 148.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.876 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.6 tptt -106.01 88.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 11' ' ' PHE . 38.0 m95 -64.04 143.35 57.93 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.73 116.95 29.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.93 -64.2 0.51 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -81.23 -51.5 8.34 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 m 60.83 121.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 39.73 69.39 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.45 -74.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.61 34.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -73.95 155.14 38.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.95 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.718 ' O ' HD23 ' A' ' 29' ' ' LEU . 75.7 p -145.57 -175.92 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.552 ' CH2' ' HD2' ' A' ' 20' ' ' ARG . 89.4 m95 -112.25 112.5 24.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.026 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.67 152.96 44.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.49 23.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -35.81 3.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.78 -50.25 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.54 -39.99 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.6 mm -42.28 116.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.57 24.67 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.567 ' H ' HG22 ' A' ' 48' ' ' ILE . 26.7 m-20 -113.74 33.06 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.491 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -41.16 -54.44 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -38.84 -40.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.08 -50.12 21.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -44.59 -37.37 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -63.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.55 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -42.64 -59.48 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.58 -55.29 21.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.96 115.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.32 177.67 41.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -49.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.43 1.753 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.6 m -96.45 109.64 22.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.04 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t -107.52 140.02 41.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.88 154.66 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -47.66 144.11 3.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.1 168.42 19.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.15 167.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.45 77.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.67 -150.4 19.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -102.35 141.73 34.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 110.265 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.85 92.85 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t 65.02 144.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 17.8 p90 -143.71 119.94 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.98 62.8 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -134.41 -45.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.43 -176.86 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' HD2' ' A' ' 57' ' ' PHE . 15.9 mt -103.82 135.74 44.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.908 HD21 ' HD3' ' A' ' 31' ' ' LYS . 3.2 mt -104.27 -32.8 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.563 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -147.48 162.69 38.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 3.5 ttp180 -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.78 165.78 25.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.702 HG23 ' O ' ' A' ' 25' ' ' ARG . 2.9 mp -126.73 135.25 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -82.14 -69.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -117.98 -69.42 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.9 40.48 1.13 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.702 ' O ' HG23 ' A' ' 21' ' ' ILE . 66.5 mtt180 -127.96 165.67 19.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 0.732 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.04 104.59 10.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -114.18 156.88 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.603 1.19 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.817 ' CD2' HD13 ' A' ' 16' ' ' LEU . 46.2 m-85 -142.02 139.44 32.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' HB2' ' A' ' 18' ' ' LYS . 3.5 mt -70.15 81.77 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.558 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 8.4 p -52.01 147.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.908 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.4 tptp -101.99 88.47 3.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 11' ' ' PHE . 41.8 m95 -59.92 143.43 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -95.08 113.14 24.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.92 -56.69 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -98.53 97.42 8.73 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 p -44.7 104.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 54.76 172.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 39' ' ' TYR . 29.9 mttt 63.81 -172.97 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LYS . 26.3 m-85 35.93 49.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' HD22 ' A' ' 29' ' ' LEU . 14.4 m -107.23 172.34 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.412 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 33.3 p -134.87 167.68 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.458 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 91.1 m95 -107.13 105.04 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -104.25 150.91 38.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 146.97 33.13 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -29.57 21.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -11.19 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -109.41 -29.88 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mm -56.67 106.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 mt -87.31 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 45.8 m-20 -98.48 33.05 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.5 -55.11 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -38.6 -42.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.52 41.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 51' ' ' ALA . 3.7 mt -44.89 -38.27 4.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.36 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.315 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.89 86.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.826 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -52.09 -53.27 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.42 -57.84 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.74 110.93 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.36 161.54 54.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 137.39 21.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 t -153.67 99.61 2.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.163 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.82 138.02 4.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.85 -58.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -140.97 129.26 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.59 163.26 17.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -164.57 135.65 4.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.944 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.69 111.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.177 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.64 85.63 0.13 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -141.2 122.4 14.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -175.37 93.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.2 t -131.79 126.1 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 32' ' ' TRP . 11.5 m-85 -76.06 139.55 41.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.438 1.086 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.5 63.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -52.22 151.75 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.74 -41.61 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.2 -176.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.921 HD13 ' CD2' ' A' ' 28' ' ' TYR . 11.7 mt -99.03 136.87 38.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.809 HD21 ' HD3' ' A' ' 31' ' ' LYS . 4.4 mt -106.07 -28.76 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HB2' HD12 ' A' ' 29' ' ' LEU . 1.9 ttmm -151.32 159.17 44.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -147.68 117.5 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.566 ' HG2' ' CH2' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -150.11 -177.15 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.12 121.06 53.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -60.71 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -122.28 -69.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.35 31.02 1.06 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.31 171.03 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.98 104.27 10.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 67.1 mt-10 -118.02 153.36 33.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.921 ' CD2' HD13 ' A' ' 16' ' ' LEU . 6.9 m-85 -135.58 147.37 48.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.552 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 9.2 mt -74.68 86.95 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.77 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.7 p -55.44 145.34 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.809 ' HD3' HD21 ' A' ' 17' ' ' LEU . 28.7 tptt -101.16 94.66 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.77 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.4 m95 -68.42 138.91 55.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 107.969 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -80.11 113.78 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.24 63.73 0.91 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.435 ' CD1' ' C ' ' A' ' 35' ' ' TRP . 0.1 OUTLIER -163.91 -45.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -41.49 -68.15 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 109.961 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 60.36 59.9 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.229 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' TYR . 8.3 mttm 67.1 170.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' LYS . 26.9 m-85 36.13 62.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.406 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -63.49 -154.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 29' ' ' LEU . 24.2 p -124.0 163.12 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 91.6 m95 -112.21 97.5 6.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -92.5 152.02 41.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.3 26.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.663 ' OE2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.31 -36.03 40.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.73 -11.66 47.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -108.29 -25.52 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.486 HD12 ' CD2' ' A' ' 16' ' ' LEU . 20.9 mm -51.76 108.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.8 mt -89.98 16.44 8.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 41.9 m-20 -104.39 32.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.44 -54.74 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -42.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.45 -45.85 51.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.9 mt -45.16 -37.64 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.85 -43.0 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -75.1 -61.04 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.675 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -42.51 -48.12 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.25 -58.76 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.53 96.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.07 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.84 157.31 28.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 78.13 2.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.3 m -156.78 -61.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -57.39 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.516 1.135 . . . . 0.0 111.059 -179.888 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -131.74 -58.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.71 121.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.79 -58.69 0.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -55.49 149.67 13.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.056 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.8 165.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.05 126.53 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.54 98.99 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 48.78 87.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.84 127.41 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 35.9 p90 -114.61 126.13 54.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.4 119.88 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -81.53 146.49 30.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.66 -38.7 2.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.79 -176.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.925 HD13 ' CD2' ' A' ' 28' ' ' TYR . 38.4 mt -107.42 120.57 42.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.762 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -87.09 -15.63 37.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.619 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -165.75 162.41 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -133.36 126.86 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' C ' HD12 ' A' ' 21' ' ' ILE . 2.4 mtt180 -137.75 179.66 6.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.623 HD12 ' C ' ' A' ' 20' ' ' ARG . 4.1 mp -129.77 135.43 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 2.1 tpt180 -93.72 59.39 2.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 3.8 mtmt 81.01 -54.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.49 -44.13 0.13 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' HG23 ' A' ' 21' ' ' ILE . 21.6 mtm180 -75.89 161.37 29.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.82 139.59 34.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -135.18 151.84 51.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.925 ' CD2' HD13 ' A' ' 16' ' ' LEU . 55.0 m-85 -141.36 159.63 41.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 18' ' ' LYS . 6.3 mt -86.72 90.73 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 10.0 p -58.92 145.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.762 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.0 tptm -107.08 79.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.577 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 -47.77 134.9 12.53 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -68.99 116.36 9.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.86 62.73 0.97 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' A' ' 36' ' ' SER . 0.0 OUTLIER 179.8 159.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.599 ' N ' ' CD1' ' A' ' 35' ' ' TRP . 75.7 p -177.88 87.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -40.5 -41.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -178.22 112.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.089 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' LYS . 28.5 m-85 36.14 41.97 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t 56.42 -172.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p -141.64 167.44 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 82.9 m95 -106.85 114.68 28.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -115.96 151.23 46.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 110.232 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.41 31.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -32.21 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.87 -31.8 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -93.4 -36.05 12.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.25 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.468 HD12 HD21 ' A' ' 16' ' ' LEU . 23.6 mm -41.89 113.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.59 7.29 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 21.4 m-20 -105.35 33.21 3.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.84 -53.18 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -39.88 -41.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.47 -44.95 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 54' ' ' LEU . 19.9 mt -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -60.81 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.28 -60.59 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.604 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -37.89 -52.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.03 -55.54 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -177.33 132.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.46 164.74 24.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 65.98 6.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -145.82 -70.13 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.413 1.071 . . . . 0.0 110.034 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.34 9.27 23.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -171.25 111.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -150.63 125.97 10.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.16 -136.98 2.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.16 156.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 0.798 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -90.33 144.04 26.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.17 63.4 0.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.89 74.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.33 98.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -136.62 128.14 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -90.81 145.46 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.63 67.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -44.61 153.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.49 -44.02 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.228 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' OD2' ' A' ' 50' ' ' ASP . . . -163.45 -179.81 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.778 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.1 mt -109.65 123.84 50.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.899 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -89.43 -37.88 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -143.75 163.55 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 2.2 ttt180 -141.44 119.2 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.69 175.76 10.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 25' ' ' ARG . 54.0 mt -104.37 146.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -115.84 84.92 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 85.86 -49.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.58 -42.53 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.11 156.64 35.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.6 mtt -89.19 147.55 24.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 9.1 mt-10 -143.35 163.75 32.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.778 ' CD2' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 -140.83 137.93 33.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.1 mt -67.23 79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' HB1' ' A' ' 13' ' ' ALA . 7.5 p -49.72 150.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.899 ' HD3' HD21 ' A' ' 17' ' ' LEU . 27.6 tptt -110.6 83.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.432 ' NE1' ' OG1' ' A' ' 41' ' ' THR . 40.9 m95 -51.43 122.13 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 107.98 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -56.65 144.41 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.19 -52.09 4.58 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -53.71 173.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.45 -171.81 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 65.06 -174.47 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 38.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -111.04 61.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -167.31 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.432 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 34.4 p -134.42 168.48 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 82.8 m95 -106.68 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 49.2 mm-40 -133.6 151.02 76.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.4 Cg_endo -75.01 140.02 24.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -45.08 -27.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 1.063 . . . . 0.0 110.251 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.56 -40.55 97.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.4 m-20 -83.18 -33.31 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.548 ' HB ' HD11 ' A' ' 54' ' ' LEU . 46.8 mm -44.61 113.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.377 1.048 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -83.8 -3.71 58.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 68.5 m-20 -92.69 33.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.03 -55.37 2.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.7 -44.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -71.15 -47.5 57.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.548 HD11 ' HB ' ' A' ' 48' ' ' ILE . 14.7 mt -43.2 -36.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.15 -53.09 58.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.04 99.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.579 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -51.99 -52.26 51.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -68.49 -57.12 6.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.3 t 49.61 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.39 158.2 51.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -39.45 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 t -95.26 -57.76 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -169.84 132.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 111.047 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -170.28 119.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 0.717 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -144.22 104.21 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.19 -168.91 47.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p 178.96 101.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 0.728 . . . . 0.0 109.968 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -57.37 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.99 138.53 2.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.429 1.08 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 62.86 164.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 55.74 85.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -136.07 128.63 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 11' ' ' PHE . 17.3 p90 -126.95 108.65 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.48 107.93 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.05 131.83 19.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -113.99 -33.65 5.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -175.53 -177.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 48' ' ' ILE . 13.2 mt -107.03 139.36 41.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -105.56 -33.39 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.559 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -147.27 166.98 25.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -144.53 109.86 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.226 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -144.66 176.0 9.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 25' ' ' ARG . 48.2 mt -104.41 136.72 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.77 48.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.51 18.81 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.43 -87.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -99.98 177.34 5.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.28 146.02 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -148.0 154.96 40.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CB ' HD22 ' A' ' 16' ' ' LEU . 18.1 m-85 -136.99 137.92 39.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 18' ' ' LYS . 2.4 mt -65.38 88.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -56.58 146.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HD3' HD21 ' A' ' 17' ' ' LEU . 9.9 tptm -108.45 98.48 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -67.51 131.25 45.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 108.015 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.85 148.68 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.21 -67.78 1.99 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.7 m95 -71.18 114.67 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 p -62.8 -81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.08 165.06 11.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' TYR . 7.2 mttt 71.85 -167.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' LYS . 28.0 m-85 36.27 61.62 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.45 162.88 33.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.425 ' O ' HD23 ' A' ' 29' ' ' LEU . 72.9 p -138.86 -179.52 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 84.9 m95 -109.9 99.1 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.22 147.17 34.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.72 38.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.81 -16.83 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -81.56 -2.55 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -135.74 41.64 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 16' ' ' LEU . 19.9 mm -101.54 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.11 -16.46 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -91.89 33.48 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.15 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.12 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -77.89 -35.95 50.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.418 1.074 . . . . 0.0 109.398 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.742 ' CG ' HG21 ' A' ' 48' ' ' ILE . 23.2 mt -49.78 -39.83 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.95 73.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.6 -66.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -38.37 -50.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.597 1.186 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.6 -58.93 3.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.43 106.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 1.086 . . . . 0.0 109.95 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.05 -145.42 4.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.41 43.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.28 77.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 t -40.35 146.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 110.933 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 101.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -58.78 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.69 154.67 23.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -129.56 103.81 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 t 47.22 82.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.38 -179.04 17.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.573 1.171 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.12 168.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.12 102.04 4.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.9 t 63.39 125.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 10.5 p90 -136.44 121.75 19.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 33' ' ' LYS . . . -125.57 85.03 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.57 137.8 46.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.204 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -117.72 -46.31 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -161.68 -174.03 4.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.563 HD21 ' OD2' ' A' ' 50' ' ' ASP . 9.6 mt -110.13 141.05 43.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.7 mt -104.84 -34.43 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.541 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 2.1 ttp85 -142.17 112.67 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -142.5 172.28 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 25' ' ' ARG . 48.1 mt -117.19 137.65 50.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -65.47 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -71.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.2 17.65 2.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 21' ' ' ILE . 6.5 mtt-85 -121.68 151.13 40.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.54 111.92 23.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 52.1 mt-10 -116.97 140.76 49.09 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.395 1.06 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' CD ' ' A' ' 19' ' ' ARG . 5.1 m-85 -124.47 149.1 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 41' ' ' THR . 3.0 mt -76.32 85.67 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.06 152.16 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD3' HD21 ' A' ' 17' ' ' LEU . 32.3 tptt -111.34 87.47 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' PHE . 45.7 m95 -54.38 148.47 11.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.044 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 16.3 mttt -40.3 153.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -41.82 -32.95 1.01 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.583 ' O ' ' CD1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -44.53 124.46 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 p -86.46 126.52 34.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.954 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -158.63 -44.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -129.43 160.63 32.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -89.23 26.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t 73.65 157.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.549 ' O ' HD23 ' A' ' 29' ' ' LEU . 73.8 p -141.17 -178.25 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 110.4 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 82.1 m95 -106.88 106.28 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 6.1 mm-40 -99.02 150.96 37.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 144.94 30.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -53.18 -27.85 23.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.75 -12.24 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 1.057 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -105.19 -27.78 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.575 ' CG2' HD11 ' A' ' 54' ' ' LEU . 39.1 mm -49.08 116.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -96.63 1.24 50.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.563 ' OD2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -100.94 33.19 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.865 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.17 -52.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.73 -40.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.13 -45.34 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 51' ' ' ALA . 18.3 mt -44.12 -38.11 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.81 80.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.75 -51.34 19.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.7 t80 -49.18 -59.41 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.96 -54.94 22.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.51 172.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.1 -166.13 29.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.431 1.753 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.0 m 62.6 117.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -106.74 154.64 20.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.922 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.172 . . . . 0.0 111.005 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -156.97 96.83 1.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.63 126.7 4.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.38 -114.57 0.62 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.582 1.176 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.17 165.79 25.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -112.56 118.8 36.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.27 158.4 19.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.34 89.81 3.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 52.33 87.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.1 t -138.35 127.95 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -71.05 149.27 46.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.33 74.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -56.79 152.22 12.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.19 -42.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.4 -179.05 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.843 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.7 mt -101.13 128.9 47.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.846 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.2 mt -97.57 -29.84 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.537 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -156.13 161.19 40.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 4.6 ttt180 -136.84 117.79 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 1.9 mmt180 -135.23 167.19 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 25' ' ' ARG . 4.2 mp -126.27 116.93 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -94.96 111.04 22.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.43 -78.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.39 45.41 0.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.831 ' O ' HG23 ' A' ' 21' ' ' ILE . 1.6 mpt_? -132.71 161.24 34.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 0.718 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mtt -114.56 101.23 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 55.6 mt-10 -118.68 156.58 29.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.843 ' CD2' HD13 ' A' ' 16' ' ' LEU . 9.6 m-85 -136.96 143.25 42.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.196 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD12 ' CB ' ' A' ' 18' ' ' LYS . 4.2 mt -68.45 86.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.416 HG23 ' HB1' ' A' ' 13' ' ' ALA . 6.0 p -62.38 144.17 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.846 ' HD3' HD21 ' A' ' 17' ' ' LEU . 22.4 tptm -99.26 101.98 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 35' ' ' TRP . 41.6 m95 -71.02 141.57 50.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 131.62 53.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.29 68.25 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.451 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -103.44 173.24 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.44 -57.04 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.88 59.83 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -131.35 115.9 16.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -84.04 46.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 t 63.87 160.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 p -138.14 175.08 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 95.6 m95 -105.48 119.98 40.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 55.9 mm-40 -117.4 151.52 48.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.96 25.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -49.83 -30.85 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -23.57 66.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -98.03 -30.06 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -50.46 108.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.16 19.43 5.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 44.5 m-20 -105.9 33.19 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -39.76 -54.74 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.9 mtt180 -38.5 -42.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.93 38.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 51' ' ' ALA . 4.1 mt -44.81 -37.53 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.23 60.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -56.19 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -41.73 -54.3 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.96 -57.23 5.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.11 91.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.18 -178.04 22.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -49.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -83.07 -58.65 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.22 161.65 13.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -124.55 -58.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.743 . . . . 0.0 109.967 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 m 58.15 169.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.3 -120.4 1.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.64 102.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.97 98.32 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.74 -170.03 49.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -108.34 108.61 19.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.359 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.61 135.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.648 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.2 t -130.73 43.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -42.81 121.48 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.65 87.34 2.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.81 140.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -123.97 -41.89 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.84 -176.68 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.589 HD12 ' HD2' ' A' ' 57' ' ' PHE . 21.1 mt -106.33 137.37 44.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.913 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.8 mt -106.05 -33.34 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.625 ' HB2' HD12 ' A' ' 29' ' ' LEU . 2.0 ttpp -141.05 160.67 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 15.5 ttp180 -146.37 112.39 5.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -160.87 177.18 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -91.51 149.45 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -92.33 -66.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.13 32.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.337 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.57 -31.9 1.76 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -109.09 167.9 9.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 0.754 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.2 mtt -94.36 128.76 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 12.1 mt-10 -124.79 166.32 16.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 15.5 m-85 -144.33 154.31 42.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.9 mt -86.09 89.8 7.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.774 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 9.6 p -59.94 147.79 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.913 ' HD3' HD21 ' A' ' 17' ' ' LEU . 15.5 tptp -102.7 87.68 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.774 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.9 m95 -60.05 119.72 8.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 172.92 12.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.3 -61.5 1.83 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -113.58 146.24 40.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.79 152.47 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -79.42 144.47 34.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.25 -52.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.226 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -101.3 35.48 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m -48.77 172.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.072 . . . . 0.0 110.058 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -131.05 170.11 14.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.508 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 m95 -111.91 97.94 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -96.83 152.6 38.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.92 34.32 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.492 1.785 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -54.87 -33.78 62.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -66.66 -11.03 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.19 -25.43 10.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.5 112.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.68 3.73 49.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 3.1 m-20 -92.21 33.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.4 -58.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -41.1 -42.43 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.12 -43.87 55.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 54' ' ' LEU . 16.5 mt -46.34 -36.15 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.56 95.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -65.4 -62.44 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.589 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -38.74 -54.89 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.055 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.14 -53.14 27.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.31 88.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -132.67 -153.33 7.24 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 65.45 6.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.434 1.755 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -56.42 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 110.079 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.41 -58.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.73 158.24 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.12 165.42 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.86 150.03 40.56 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.491 1.12 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -139.11 97.85 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -59.05 5.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.81 -145.92 16.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.395 1.059 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.83 133.83 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 0.808 . . . . 0.0 110.312 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.54 91.38 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t -136.86 123.48 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.03 117.57 15.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.14 117.06 8.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.377 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.82 134.47 55.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -116.07 -34.75 4.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.81 177.5 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.832 HD22 ' CB ' ' A' ' 28' ' ' TYR . 9.1 mt -102.38 138.64 39.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.76 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -103.77 -35.64 8.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -150.04 160.91 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 4.8 ttt180 -136.98 120.4 16.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 82.8 mtt180 -158.73 169.73 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 mm -80.49 151.41 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -64.84 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 48.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.22 -26.37 23.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.573 1.171 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 152.57 18.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 0.794 . . . . 0.0 110.255 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.66 130.65 36.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 mt-10 -135.78 162.22 33.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.832 ' CB ' HD22 ' A' ' 16' ' ' LEU . 8.1 m-85 -139.93 145.69 38.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 41' ' ' THR . 2.8 mt -69.9 86.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.23 149.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.76 ' HD3' HD21 ' A' ' 17' ' ' LEU . 4.4 tptt -110.18 80.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -51.04 127.92 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 110.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' A' ' 35' ' ' TRP . . . 82.69 53.03 3.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.47 ' CD1' ' O ' ' A' ' 34' ' ' GLY . 55.3 m95 -152.46 65.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -110.51 85.78 2.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' OE1' ' CE1' ' A' ' 39' ' ' TYR . 22.8 tt0 -161.66 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -163.45 29.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CE1' ' OE1' ' A' ' 37' ' ' GLN . 12.0 m-85 -116.85 50.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.426 ' HB2' HD22 ' A' ' 29' ' ' LEU . 96.8 p -100.77 167.72 10.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.059 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.526 ' O ' HD23 ' A' ' 29' ' ' LEU . 41.7 p -147.33 175.82 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.507 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 93.0 m95 -113.44 119.36 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.91 153.92 44.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.04 140.35 25.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -47.54 -24.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.46 -37.14 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' PRO . 41.6 t-20 -76.69 -29.19 56.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 HD21 ' A' ' 16' ' ' LEU . 48.0 mm -45.43 113.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.94 -5.76 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -94.44 33.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.23 -51.96 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -40.31 -40.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.251 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.86 -43.85 52.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 51' ' ' ALA . 51.0 mt -45.52 -37.53 5.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.23 -42.53 81.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.78 -59.54 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.478 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -43.13 -47.74 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.49 -58.51 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.363 1.04 . . . . 0.0 110.32 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -47.09 154.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.34 -155.29 7.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 67.24 6.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.92 145.63 1.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.6 p -134.86 99.19 4.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m 64.11 125.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.991 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m 61.02 157.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.87 -82.16 0.74 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.142 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 p -105.95 138.47 42.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -119.62 -57.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.965 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.39 -132.23 2.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.98 166.45 10.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -71.53 97.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.2 t -136.32 126.4 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 10.1 p90 -75.73 150.44 37.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.71 70.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -50.6 144.52 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -116.74 -35.53 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.56 -177.07 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 28' ' ' TYR . 57.3 mt -108.82 131.43 54.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.928 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -99.5 -47.16 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -128.47 161.9 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' NH1' HD11 ' A' ' 21' ' ' ILE . 3.9 ttp85 -143.39 117.54 9.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.577 ' C ' HD12 ' A' ' 21' ' ' ILE . 5.0 mtt180 -131.14 172.7 11.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' ARG . 4.2 mp -129.19 128.25 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 61.55 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt 77.22 -56.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.11 -42.05 0.26 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.19 169.72 17.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 110.272 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.6 mtt -121.44 148.06 44.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.554 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 46.2 mt-10 -146.39 157.68 43.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 16' ' ' LEU . 14.4 m-85 -147.6 144.89 28.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.5 mt -73.6 77.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG23 ' HB1' ' A' ' 13' ' ' ALA . 4.5 p -46.19 146.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.928 ' HD3' HD21 ' A' ' 17' ' ' LEU . 23.5 tptp -105.5 102.43 11.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 40.5 m95 -72.25 119.94 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -70.6 149.16 47.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.45 -65.67 1.05 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -80.96 114.49 19.87 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.35 141.96 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.92 116.39 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.168 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.39 -62.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -89.77 47.29 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HB3' HD22 ' A' ' 29' ' ' LEU . 5.0 m -74.85 -179.41 4.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.531 ' O ' HD23 ' A' ' 29' ' ' LEU . 14.4 p -147.69 174.26 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 86.6 m95 -114.62 112.71 23.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -116.96 151.91 48.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.06 140.83 25.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -42.14 -29.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.599 1.187 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.54 -46.05 87.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.0 m-20 -76.4 -29.42 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.865 ' CG2' HD11 ' A' ' 54' ' ' LEU . 9.1 mm -57.73 108.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.5 mt -98.36 41.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 42.6 m-20 -120.06 33.27 5.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -39.19 -55.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -38.54 -43.7 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.1 mp -74.03 -56.83 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.865 HD11 ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -46.64 -36.13 6.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.14 76.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -46.73 25.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.237 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.06 -54.14 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.94 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.71 -54.03 15.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.39 101.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.56 156.74 24.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 t -151.26 114.34 4.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -46.9 167.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -87.53 123.6 32.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.967 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -162.14 169.51 20.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.19 -90.84 2.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.83 -58.56 0.59 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 109.938 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.11 142.48 36.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.3 107.31 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.63 134.9 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.74 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -57.63 101.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.593 1.183 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.4 t -143.04 128.33 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -61.8 148.81 41.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.86 64.97 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -48.45 146.66 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -121.76 -40.3 2.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.35 -173.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.7 mt -107.23 139.62 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.924 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -107.54 -33.91 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.95 162.62 41.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.562 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 5.2 ttt-85 -135.02 137.79 43.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -155.38 176.05 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 25' ' ' ARG . 5.3 mp -127.12 140.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -84.13 -60.36 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.66 51.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.23 -37.64 2.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -96.3 153.0 18.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.352 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.0 mtt -102.52 139.41 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -136.26 161.65 35.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.644 ' CD2' HD13 ' A' ' 16' ' ' LEU . 40.3 m-85 -140.08 154.19 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.3 mt -79.87 82.29 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.754 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 4.3 p -51.99 153.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.924 ' HD3' HD21 ' A' ' 17' ' ' LEU . 9.9 tptm -108.73 93.54 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.754 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 -66.63 130.57 43.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 108.025 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -86.32 174.38 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.351 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.46 -61.35 3.21 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.66 130.83 52.64 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -41.95 158.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -50.12 110.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' A' ' 39' ' ' TYR . 3.8 pttt -175.76 161.21 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.392 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CD2' ' HG3' ' A' ' 38' ' ' LYS . 8.0 m-85 36.19 52.08 0.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -74.63 -175.23 2.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 22.8 p -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 86.8 m95 -106.95 100.58 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -106.41 148.95 37.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 147.91 34.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -31.22 6.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.38 -41.39 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -81.75 -33.23 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.3 mm -53.54 110.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.41 13.22 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 37.4 m-20 -104.08 33.07 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.53 -55.1 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.59 -44.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -70.77 -48.43 54.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' A' ' 16' ' ' LEU . 1.2 mt -43.85 -30.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.39 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.78 -16.52 64.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.364 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' LEU . 12.2 t80 -73.15 -59.95 2.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.44 -31.96 69.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.52 84.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.74 164.46 48.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 84.26 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -111.02 84.04 1.86 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.611 1.194 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -125.23 115.75 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.3 137.35 53.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.953 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.43 132.96 38.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.052 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.33 96.45 0.93 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.4 p -71.03 97.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -179.0 113.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.048 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.13 -101.64 1.36 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.544 1.153 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 152.58 13.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 0.756 . . . . 0.0 110.354 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.53 148.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -136.96 129.8 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 78.9 m-85 -53.01 103.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' HZ2' ' A' ' 35' ' ' TRP . . . -111.22 116.03 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -90.93 159.26 16.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 28.9 tt0 -118.23 -37.08 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' GLU . . . 178.39 -174.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' A' ' 57' ' ' PHE . 15.3 mt -103.37 129.9 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.825 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -100.5 -28.15 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -153.69 161.0 42.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 8.2 ttp180 -140.28 109.85 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -143.77 178.62 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 21' ' ' ILE . 3.5 mp -100.26 146.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -59.27 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -170.98 36.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.54 -42.89 0.86 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -104.02 156.47 17.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 0.721 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.1 ttm -88.85 127.07 35.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 49.2 mt-10 -120.24 170.84 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.681 ' CD2' HD13 ' A' ' 16' ' ' LEU . 11.3 m-85 -140.27 153.44 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 41' ' ' THR . 5.4 mt -79.92 85.76 5.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 32' ' ' TRP . 5.4 p -55.77 145.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.253 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.825 ' HD3' HD21 ' A' ' 17' ' ' LEU . 19.5 tptt -100.91 74.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.626 ' CE2' HG11 ' A' ' 30' ' ' VAL . 43.0 m95 -47.28 160.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.979 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' TRP . 1.2 mttt -113.42 124.45 52.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.1 -64.98 0.36 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' LYS . 5.9 p90 -73.59 86.99 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 p -173.58 171.07 3.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.063 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -153.86 45.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.8 -61.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -38.87 -37.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.648 ' HB3' HD22 ' A' ' 29' ' ' LEU . 45.5 t 48.49 -163.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.663 ' O ' HD23 ' A' ' 29' ' ' LEU . 40.2 p -141.41 175.09 9.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 85.6 m95 -114.22 111.14 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.6 151.14 43.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.74 29.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -27.63 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.58 -47.91 81.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -77.45 -37.13 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.5 mm -44.75 115.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -92.89 29.07 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.387 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.566 ' H ' HG22 ' A' ' 48' ' ' ILE . 10.2 m-20 -117.17 32.78 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.87 -54.64 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -38.67 -41.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -73.16 -49.7 26.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.4 mt -45.01 -39.16 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.799 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -40.11 -47.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 111.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.83 -56.78 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.8 95.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.058 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.25 -145.45 8.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.42 2.01 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.8 88.85 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 p -64.45 146.34 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -70.17 151.44 45.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -120.86 -39.26 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.27 -175.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.684 HD13 ' CD2' ' A' ' 28' ' ' TYR . 13.3 mt -105.27 118.14 35.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -85.73 -29.59 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.566 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -153.89 162.37 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -136.75 122.23 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 6.3 mmt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.684 ' CD2' HD13 ' A' ' 16' ' ' LEU . 32.2 m-85 -122.99 140.27 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CB ' ' A' ' 18' ' ' LYS . 4.6 mt -66.04 93.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.787 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -62.46 147.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.753 ' HD3' HD21 ' A' ' 17' ' ' LEU . 46.1 tptt -106.48 87.45 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.787 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.0 p -129.85 174.75 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 85.1 m95 -106.46 99.32 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -90.39 149.96 42.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.47 35.62 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.479 1.778 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.728 ' OE2' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.76 -33.69 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.32 -13.89 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.53 -26.15 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 16' ' ' LEU . 29.7 mm -58.12 104.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.78 8.01 21.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 57.0 m-20 -94.78 33.18 1.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.15 -54.49 2.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.14 -42.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.74 -44.74 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.728 HD13 ' OE2' ' A' ' 45' ' ' GLU . 20.0 mt -45.65 -39.97 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.72 89.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -73.07 -55.26 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.64 -52.87 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 141.86 58.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -117.3 -36.69 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.46 -174.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 57' ' ' PHE . 14.2 mt -107.1 132.01 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.914 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -101.31 -26.4 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.633 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -153.93 162.46 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -143.03 109.99 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' GLU . 2.5 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ARG . 82.6 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.625 ' CD2' HD13 ' A' ' 16' ' ' LEU . 27.2 m-85 -115.3 142.85 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.0 mt -70.91 83.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.808 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.8 p -55.55 144.91 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.914 ' HD3' HD21 ' A' ' 17' ' ' LEU . 10.2 tptp -100.86 89.9 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.808 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 108.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.9 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 p -138.06 162.18 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 86.0 m95 -105.76 98.48 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.12 151.38 37.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.6 36.77 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -50.9 -38.04 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -16.9 32.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -102.89 -33.11 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.449 ' CG2' HD21 ' A' ' 16' ' ' LEU . 25.7 mm -53.23 106.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -86.56 9.7 17.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 54.3 m-20 -95.35 33.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.36 -55.26 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.69 -42.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.37 -46.29 49.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -45.04 -39.62 5.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.07 -44.58 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -74.43 -54.48 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.709 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -42.36 -45.05 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.946 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -55.23 151.8 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -131.32 -44.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.54 175.12 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.787 HD22 ' CB ' ' A' ' 28' ' ' TYR . 16.2 mt -101.52 136.12 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.794 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -101.84 -41.07 6.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.02 159.71 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -141.97 121.99 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 42' ' ' TRP . 8.1 ptt180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.787 ' CB ' HD22 ' A' ' 16' ' ' LEU . 34.4 m-85 -140.46 150.8 44.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -79.57 84.57 5.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' CG2' ' CB ' ' A' ' 13' ' ' ALA . 6.3 p -50.52 147.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.794 ' HD3' HD21 ' A' ' 17' ' ' LEU . 46.3 tptt -109.18 79.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.1 m95 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 p -139.34 170.26 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 85.8 m95 -108.9 117.86 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -119.86 152.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.35 28.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 0.4 OUTLIER -48.29 -31.34 5.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.93 -32.06 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' ILE . 3.5 m-20 -93.12 -34.86 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.581 HD12 HD21 ' A' ' 16' ' ' LEU . 28.2 mm -40.47 108.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -77.07 -3.52 39.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 65.7 m-20 -92.73 33.07 1.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.16 -50.91 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.92 -40.49 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.59 -43.98 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 54' ' ' LEU . 15.1 mt -45.82 -36.53 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.88 -54.46 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.27 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.624 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -39.42 -53.16 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.56 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -118.6 -38.54 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.27 -175.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.62 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.4 mt -105.04 137.15 43.23 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.592 1.183 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.792 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.07 -27.4 11.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.576 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -154.67 161.59 41.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 2.4 ttt180 -135.92 110.64 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 11.6 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CD2' HD13 ' A' ' 16' ' ' LEU . 52.9 m-85 -144.69 145.69 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.576 HD12 ' CB ' ' A' ' 18' ' ' LYS . 5.5 mt -74.09 84.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 p -56.36 145.5 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.792 ' HD3' HD21 ' A' ' 17' ' ' LEU . 29.3 tptt -101.88 81.12 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.4 m95 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.424 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.4 p -136.34 166.85 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 89.6 m95 -101.31 127.22 48.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 108.025 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -129.13 151.1 77.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 144.99 31.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -30.99 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -49.65 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -74.33 -36.37 63.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -50.8 110.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -89.91 11.84 19.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.3 m-20 -100.15 32.06 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.6 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.9 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -42.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -72.02 -46.26 57.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.217 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.1 mt -48.03 -37.15 14.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.25 -59.98 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' PHE . . . -61.39 -56.46 20.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.506 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.2 t80 -37.84 -56.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.16 148.58 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.25 -43.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 110.234 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.8 179.81 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.747 HD13 ' CD2' ' A' ' 28' ' ' TYR . 26.4 mt -104.16 136.68 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.839 HD21 ' HD3' ' A' ' 31' ' ' LYS . 2.7 mt -102.97 -49.57 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.56 161.78 31.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 1.3 ttp180 -145.46 112.75 6.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 38.0 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.747 ' CD2' HD13 ' A' ' 16' ' ' LEU . 24.9 m-85 -139.76 140.57 36.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' A' ' 40' ' ' SER . 1.8 mt -68.06 78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.753 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 p -48.7 149.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.839 ' HD3' HD21 ' A' ' 17' ' ' LEU . 20.7 tptp -105.76 74.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.753 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.589 ' HB2' HD22 ' A' ' 29' ' ' LEU . 7.2 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' HD23 ' A' ' 29' ' ' LEU . 49.4 p -140.07 177.22 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 85.2 m95 -111.5 102.01 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 5.6 mm-40 -101.17 150.92 37.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 144.21 30.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.835 ' OE2' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.14 -35.0 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -10.65 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.3 -23.26 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 50' ' ' ASP . 22.8 mm -58.08 110.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 mt -91.7 21.39 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 22.7 m-20 -113.8 33.15 5.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.46 -53.73 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 -41.39 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.63 1.206 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -74.03 -45.25 50.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 51' ' ' ALA . 6.0 mt -44.89 -38.79 4.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.33 -46.17 83.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -68.43 -57.74 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.577 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.74 -52.09 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.52 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -84.95 138.96 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.75 -41.22 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.94 178.54 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.0 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.4 mt -101.63 107.12 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.815 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.4 mt -73.21 -30.03 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -151.92 163.13 39.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.513 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -141.59 109.73 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 10.7 mtt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.526 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 20.8 mt-10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 1.0 ' CD2' HD13 ' A' ' 16' ' ' LEU . 14.6 m-85 -142.66 150.81 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 41' ' ' THR . 5.7 mt -81.06 81.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.52 HG23 ' HB1' ' A' ' 13' ' ' ALA . 6.6 p -56.55 141.09 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.815 ' HD3' HD21 ' A' ' 17' ' ' LEU . 18.8 tptm -96.13 76.58 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 107.987 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.718 ' HB3' HD22 ' A' ' 29' ' ' LEU . 44.2 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.834 ' O ' HD23 ' A' ' 29' ' ' LEU . 17.2 p -140.04 176.06 9.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 20' ' ' ARG . 76.8 m95 -116.86 106.1 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.76 154.79 37.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 141.46 27.05 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' OE2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -50.37 -32.82 18.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -16.89 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -26.21 12.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.497 HG23 HD21 ' A' ' 16' ' ' LEU . 25.6 mm -57.19 108.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.0 mt -90.66 17.27 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 69.2 m-20 -104.91 33.12 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.81 -54.95 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -42.35 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.14 -46.62 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -44.61 -38.73 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.36 70.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.27 60.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -37.8 -50.09 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -54.46 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.61 -45.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.98 -179.06 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.741 HD22 ' CB ' ' A' ' 28' ' ' TYR . 14.2 mt -109.84 121.74 45.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -94.42 -18.7 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.798 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -162.41 161.73 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 4.2 ttp180 -144.95 110.25 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.559 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 41.0 mt-10 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.741 ' CB ' HD22 ' A' ' 16' ' ' LEU . 8.0 m-85 -143.2 155.02 44.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.7 mt -77.47 84.08 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 32' ' ' TRP . 2.0 p -56.89 144.31 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.699 ' HD3' HD11 ' A' ' 17' ' ' LEU . 13.8 tptp -103.98 72.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.576 ' CE2' HG11 ' A' ' 30' ' ' VAL . 39.7 m95 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 107.978 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.437 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.719 ' O ' HD23 ' A' ' 29' ' ' LEU . 60.4 p -141.11 -177.02 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -111.58 109.19 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 79.7 mm-40 -98.89 151.49 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.33 30.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -55.66 -18.51 8.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -81.14 -10.15 59.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -106.15 -32.96 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.484 ' CG2' HD11 ' A' ' 54' ' ' LEU . 47.5 mm -41.94 110.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -91.37 2.65 56.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.125 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -102.61 33.51 3.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.77 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.18 -51.99 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -39.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.062 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.56 -45.2 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 51' ' ' ALA . 27.1 mt -44.35 -36.64 2.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.32 73.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.6 55.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -45.32 -55.19 6.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -55.19 155.93 4.5 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -122.68 -40.6 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.44 -178.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.669 HD13 ' CD2' ' A' ' 28' ' ' TYR . 15.7 mt -105.44 111.76 24.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.876 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -76.05 -41.98 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -143.16 166.6 24.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.1 ttt180 -137.07 129.93 30.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD2' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mtt-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 16.4 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.669 ' CD2' HD13 ' A' ' 16' ' ' LEU . 16.2 m-85 -145.13 143.86 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 41' ' ' THR . 3.7 mt -70.05 79.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.429 HG23 ' HB1' ' A' ' 13' ' ' ALA . 7.8 p -50.68 148.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.876 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.6 tptt -106.01 88.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.0 m95 . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.718 ' O ' HD23 ' A' ' 29' ' ' LEU . 75.7 p -145.57 -175.92 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.552 ' CH2' ' HD2' ' A' ' 20' ' ' ARG . 89.4 m95 -112.25 112.5 24.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.026 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.67 152.96 44.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.49 23.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -35.81 3.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.78 -50.25 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.54 -39.99 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.6 mm -42.28 116.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.57 24.67 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.567 ' H ' HG22 ' A' ' 48' ' ' ILE . 26.7 m-20 -113.74 33.06 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.491 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -41.16 -54.44 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -38.84 -40.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.08 -50.12 21.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -44.59 -37.37 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -63.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.55 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -42.64 -59.48 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -134.41 -45.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.43 -176.86 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' HD2' ' A' ' 57' ' ' PHE . 15.9 mt -103.82 135.74 44.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.908 HD21 ' HD3' ' A' ' 31' ' ' LYS . 3.2 mt -104.27 -32.8 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.563 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -147.48 162.69 38.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 3.5 ttp180 -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.817 ' CD2' HD13 ' A' ' 16' ' ' LEU . 46.2 m-85 -142.02 139.44 32.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' HB2' ' A' ' 18' ' ' LYS . 3.5 mt -70.15 81.77 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.558 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 8.4 p -52.01 147.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.908 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.4 tptp -101.99 88.47 3.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' HD22 ' A' ' 29' ' ' LEU . 14.4 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.412 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 33.3 p -134.87 167.68 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.458 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 91.1 m95 -107.13 105.04 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -104.25 150.91 38.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 146.97 33.13 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -29.57 21.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -11.19 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -109.41 -29.88 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mm -56.67 106.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 mt -87.31 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 45.8 m-20 -98.48 33.05 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.5 -55.11 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -38.6 -42.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.52 41.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 51' ' ' ALA . 3.7 mt -44.89 -38.27 4.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.36 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.315 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.89 86.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.826 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -52.09 -53.27 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.335 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -52.22 151.75 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.74 -41.61 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.2 -176.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.921 HD13 ' CD2' ' A' ' 28' ' ' TYR . 11.7 mt -99.03 136.87 38.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.809 HD21 ' HD3' ' A' ' 31' ' ' LYS . 4.4 mt -106.07 -28.76 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HB2' HD12 ' A' ' 29' ' ' LEU . 1.9 ttmm -151.32 159.17 44.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -147.68 117.5 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.566 ' HG2' ' CH2' ' A' ' 42' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.446 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 67.1 mt-10 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.921 ' CD2' HD13 ' A' ' 16' ' ' LEU . 6.9 m-85 -135.58 147.37 48.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.552 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 9.2 mt -74.68 86.95 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.77 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.7 p -55.44 145.34 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.809 ' HD3' HD21 ' A' ' 17' ' ' LEU . 28.7 tptt -101.16 94.66 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.77 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.4 m95 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 107.969 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.406 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 29' ' ' LEU . 24.2 p -124.0 163.12 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 91.6 m95 -112.21 97.5 6.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -92.5 152.02 41.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.3 26.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.663 ' OE2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.31 -36.03 40.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.73 -11.66 47.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -108.29 -25.52 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.486 HD12 ' CD2' ' A' ' 16' ' ' LEU . 20.9 mm -51.76 108.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.8 mt -89.98 16.44 8.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 41.9 m-20 -104.39 32.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.44 -54.74 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -42.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.45 -45.85 51.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.9 mt -45.16 -37.64 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.85 -43.0 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -75.1 -61.04 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.675 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -42.51 -48.12 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -81.53 146.49 30.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.66 -38.7 2.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.79 -176.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.925 HD13 ' CD2' ' A' ' 28' ' ' TYR . 38.4 mt -107.42 120.57 42.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.762 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -87.09 -15.63 37.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.619 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -165.75 162.41 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -133.36 126.86 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.544 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 2.4 mtt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.925 ' CD2' HD13 ' A' ' 16' ' ' LEU . 55.0 m-85 -141.36 159.63 41.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 18' ' ' LYS . 6.3 mt -86.72 90.73 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.577 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 10.0 p -58.92 145.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.762 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.0 tptm -107.08 79.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.577 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p -141.64 167.44 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 82.9 m95 -106.85 114.68 28.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -115.96 151.23 46.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 110.232 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.41 31.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -32.21 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.87 -31.8 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -93.4 -36.05 12.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.25 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.468 HD12 HD21 ' A' ' 16' ' ' LEU . 23.6 mm -41.89 113.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.59 7.29 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 21.4 m-20 -105.35 33.21 3.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.84 -53.18 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -39.88 -41.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.47 -44.95 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' ALA . 19.9 mt -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -60.81 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.28 -60.59 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.604 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -37.89 -52.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -44.61 153.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.49 -44.02 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.228 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' OD2' ' A' ' 50' ' ' ASP . . . -163.45 -179.81 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.778 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.1 mt -109.65 123.84 50.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.899 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -89.43 -37.88 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -143.75 163.55 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 2.2 ttt180 -141.44 119.2 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' ARG . 9.1 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.778 ' CD2' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 -140.83 137.93 33.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.1 mt -67.23 79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' HB1' ' A' ' 13' ' ' ALA . 7.5 p -49.72 150.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.899 ' HD3' HD21 ' A' ' 17' ' ' LEU . 27.6 tptt -110.6 83.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.432 ' NE1' ' OG1' ' A' ' 41' ' ' THR . 40.9 m95 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 107.98 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.432 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 34.4 p -134.42 168.48 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 82.8 m95 -106.68 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 49.2 mm-40 -133.6 151.02 76.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.4 Cg_endo -75.01 140.02 24.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -45.08 -27.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 1.063 . . . . 0.0 110.251 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.56 -40.55 97.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.4 m-20 -83.18 -33.31 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.548 ' HB ' HD11 ' A' ' 54' ' ' LEU . 46.8 mm -44.61 113.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.377 1.048 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -83.8 -3.71 58.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 68.5 m-20 -92.69 33.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.03 -55.37 2.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.7 -44.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -71.15 -47.5 57.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.548 HD11 ' HB ' ' A' ' 48' ' ' ILE . 14.7 mt -43.2 -36.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.15 -53.09 58.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.04 99.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.579 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -51.99 -52.26 51.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.05 131.83 19.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -113.99 -33.65 5.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -175.53 -177.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 48' ' ' ILE . 13.2 mt -107.03 139.36 41.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -105.56 -33.39 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.559 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -147.27 166.98 25.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -144.53 109.86 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.226 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CB ' HD22 ' A' ' 16' ' ' LEU . 18.1 m-85 -136.99 137.92 39.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 18' ' ' LYS . 2.4 mt -65.38 88.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -56.58 146.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HD3' HD21 ' A' ' 17' ' ' LEU . 9.9 tptm -108.45 98.48 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.7 m95 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 108.015 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.425 ' O ' HD23 ' A' ' 29' ' ' LEU . 72.9 p -138.86 -179.52 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 84.9 m95 -109.9 99.1 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.22 147.17 34.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.72 38.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.81 -16.83 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -81.56 -2.55 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -135.74 41.64 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 16' ' ' LEU . 19.9 mm -101.54 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.11 -16.46 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -91.89 33.48 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.15 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.12 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -77.89 -35.95 50.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.418 1.074 . . . . 0.0 109.398 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.742 ' CG ' HG21 ' A' ' 48' ' ' ILE . 23.2 mt -49.78 -39.83 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.95 73.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.6 -66.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -38.37 -50.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.597 1.186 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.57 137.8 46.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.204 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -117.72 -46.31 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -161.68 -174.03 4.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.563 HD21 ' OD2' ' A' ' 50' ' ' ASP . 9.6 mt -110.13 141.05 43.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.7 mt -104.84 -34.43 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.541 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 2.1 ttp85 -142.17 112.67 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 52.1 mt-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' CD ' ' A' ' 19' ' ' ARG . 5.1 m-85 -124.47 149.1 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 41' ' ' THR . 3.0 mt -76.32 85.67 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.06 152.16 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD3' HD21 ' A' ' 17' ' ' LEU . 32.3 tptt -111.34 87.47 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.7 m95 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.044 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.549 ' O ' HD23 ' A' ' 29' ' ' LEU . 73.8 p -141.17 -178.25 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 110.4 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 82.1 m95 -106.88 106.28 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 6.1 mm-40 -99.02 150.96 37.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 144.94 30.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.538 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -53.18 -27.85 23.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.75 -12.24 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 1.057 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -105.19 -27.78 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.575 ' CG2' HD11 ' A' ' 54' ' ' LEU . 39.1 mm -49.08 116.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -96.63 1.24 50.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.563 ' OD2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -100.94 33.19 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.865 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.17 -52.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.73 -40.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.13 -45.34 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 51' ' ' ALA . 18.3 mt -44.12 -38.11 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.81 80.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.75 -51.34 19.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.7 t80 -49.18 -59.41 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -56.79 152.22 12.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.19 -42.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.4 -179.05 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.843 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.7 mt -101.13 128.9 47.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.846 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.2 mt -97.57 -29.84 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.537 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -156.13 161.19 40.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 4.6 ttt180 -136.84 117.79 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 1.9 mmt180 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 55.6 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.843 ' CD2' HD13 ' A' ' 16' ' ' LEU . 9.6 m-85 -136.96 143.25 42.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.196 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD12 ' CB ' ' A' ' 18' ' ' LYS . 4.2 mt -68.45 86.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.416 HG23 ' HB1' ' A' ' 13' ' ' ALA . 6.0 p -62.38 144.17 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.846 ' HD3' HD21 ' A' ' 17' ' ' LEU . 22.4 tptm -99.26 101.98 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.6 m95 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 107.99 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 p -138.14 175.08 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 95.6 m95 -105.48 119.98 40.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 55.9 mm-40 -117.4 151.52 48.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.96 25.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -49.83 -30.85 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -23.57 66.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -98.03 -30.06 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -50.46 108.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.16 19.43 5.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 44.5 m-20 -105.9 33.19 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -39.76 -54.74 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.9 mtt180 -38.5 -42.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.93 38.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 51' ' ' ALA . 4.1 mt -44.81 -37.53 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.23 60.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -56.19 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -41.73 -54.3 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.279 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.81 140.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -123.97 -41.89 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.84 -176.68 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.589 HD12 ' HD2' ' A' ' 57' ' ' PHE . 21.1 mt -106.33 137.37 44.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.913 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.8 mt -106.05 -33.34 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.625 ' HB2' HD12 ' A' ' 29' ' ' LEU . 2.0 ttpp -141.05 160.67 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 15.5 ttp180 -146.37 112.39 5.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.53 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 12.1 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 15.5 m-85 -144.33 154.31 42.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.9 mt -86.09 89.8 7.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.774 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 9.6 p -59.94 147.79 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.913 ' HD3' HD21 ' A' ' 17' ' ' LEU . 15.5 tptp -102.7 87.68 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.774 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.9 m95 . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -131.05 170.11 14.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.508 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 m95 -111.91 97.94 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -96.83 152.6 38.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.92 34.32 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.492 1.785 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -54.87 -33.78 62.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -66.66 -11.03 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.19 -25.43 10.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.5 112.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.68 3.73 49.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 3.1 m-20 -92.21 33.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.4 -58.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -41.1 -42.43 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.12 -43.87 55.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 54' ' ' LEU . 16.5 mt -46.34 -36.15 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.56 95.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -65.4 -62.44 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.589 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -38.74 -54.89 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.055 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.82 134.47 55.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -116.07 -34.75 4.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.81 177.5 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.832 HD22 ' CB ' ' A' ' 28' ' ' TYR . 9.1 mt -102.38 138.64 39.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.76 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -103.77 -35.64 8.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -150.04 160.91 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 4.8 ttt180 -136.98 120.4 16.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 82.8 mtt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 mt-10 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.832 ' CB ' HD22 ' A' ' 16' ' ' LEU . 8.1 m-85 -139.93 145.69 38.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 41' ' ' THR . 2.8 mt -69.9 86.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.23 149.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.76 ' HD3' HD21 ' A' ' 17' ' ' LEU . 4.4 tptt -110.18 80.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.426 ' HB2' HD22 ' A' ' 29' ' ' LEU . 96.8 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.526 ' O ' HD23 ' A' ' 29' ' ' LEU . 41.7 p -147.33 175.82 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.507 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 93.0 m95 -113.44 119.36 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.91 153.92 44.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.04 140.35 25.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -47.54 -24.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.46 -37.14 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' PRO . 41.6 t-20 -76.69 -29.19 56.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 HD21 ' A' ' 16' ' ' LEU . 48.0 mm -45.43 113.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.94 -5.76 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -94.44 33.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.23 -51.96 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -40.31 -40.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.251 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.86 -43.85 52.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 51' ' ' ALA . 51.0 mt -45.52 -37.53 5.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.23 -42.53 81.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.78 -59.54 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.478 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -43.13 -47.74 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.363 1.04 . . . . 0.0 110.32 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -50.6 144.52 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -116.74 -35.53 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.56 -177.07 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 28' ' ' TYR . 57.3 mt -108.82 131.43 54.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.928 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -99.5 -47.16 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -128.47 161.9 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.431 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.9 ttp85 -143.39 117.54 9.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 5.0 mtt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.554 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 46.2 mt-10 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 16' ' ' LEU . 14.4 m-85 -147.6 144.89 28.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.5 mt -73.6 77.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG23 ' HB1' ' A' ' 13' ' ' ALA . 4.5 p -46.19 146.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.928 ' HD3' HD21 ' A' ' 17' ' ' LEU . 23.5 tptp -105.5 102.43 11.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 40.5 m95 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.973 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HB3' HD22 ' A' ' 29' ' ' LEU . 5.0 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.531 ' O ' HD23 ' A' ' 29' ' ' LEU . 14.4 p -147.69 174.26 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 86.6 m95 -114.62 112.71 23.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -116.96 151.91 48.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.06 140.83 25.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -42.14 -29.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.599 1.187 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.54 -46.05 87.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.0 m-20 -76.4 -29.42 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.865 ' CG2' HD11 ' A' ' 54' ' ' LEU . 9.1 mm -57.73 108.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.5 mt -98.36 41.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 42.6 m-20 -120.06 33.27 5.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -39.19 -55.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -38.54 -43.7 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.1 mp -74.03 -56.83 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.865 HD11 ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -46.64 -36.13 6.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.14 76.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -46.73 25.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.237 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.431 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.06 -54.14 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.94 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -48.45 146.66 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -121.76 -40.3 2.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.35 -173.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.7 mt -107.23 139.62 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.924 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -107.54 -33.91 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.95 162.62 41.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.562 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 5.2 ttt-85 -135.02 137.79 43.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.644 ' CD2' HD13 ' A' ' 16' ' ' LEU . 40.3 m-85 -140.08 154.19 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.3 mt -79.87 82.29 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.754 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 4.3 p -51.99 153.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.924 ' HD3' HD21 ' A' ' 17' ' ' LEU . 9.9 tptm -108.73 93.54 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.754 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 108.025 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 22.8 p -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 86.8 m95 -106.95 100.58 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -106.41 148.95 37.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 147.91 34.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -31.22 6.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.38 -41.39 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -81.75 -33.23 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.3 mm -53.54 110.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.41 13.22 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 37.4 m-20 -104.08 33.07 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.53 -55.1 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.59 -44.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -70.77 -48.43 54.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' A' ' 16' ' ' LEU . 1.2 mt -43.85 -30.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.39 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.78 -16.52 64.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.364 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' LEU . 12.2 t80 -73.15 -59.95 2.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.297 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -90.93 159.26 16.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 28.9 tt0 -118.23 -37.08 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' GLU . . . 178.39 -174.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' A' ' 57' ' ' PHE . 15.3 mt -103.37 129.9 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.825 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -100.5 -28.15 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -153.69 161.0 42.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 8.2 ttp180 -140.28 109.85 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 49.2 mt-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.681 ' CD2' HD13 ' A' ' 16' ' ' LEU . 11.3 m-85 -140.27 153.44 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 41' ' ' THR . 5.4 mt -79.92 85.76 5.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 32' ' ' TRP . 5.4 p -55.77 145.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.253 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.825 ' HD3' HD21 ' A' ' 17' ' ' LEU . 19.5 tptt -100.91 74.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.626 ' CE2' HG11 ' A' ' 30' ' ' VAL . 43.0 m95 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.979 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.648 ' HB3' HD22 ' A' ' 29' ' ' LEU . 45.5 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.663 ' O ' HD23 ' A' ' 29' ' ' LEU . 40.2 p -141.41 175.09 9.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 85.6 m95 -114.22 111.14 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.6 151.14 43.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.74 29.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -27.63 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.58 -47.91 81.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -77.45 -37.13 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.5 mm -44.75 115.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -92.89 29.07 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.387 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.566 ' H ' HG22 ' A' ' 48' ' ' ILE . 10.2 m-20 -117.17 32.78 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.87 -54.64 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -38.67 -41.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -73.16 -49.7 26.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.4 mt -45.01 -39.16 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.799 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -40.11 -47.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 111.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.34 103.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.032 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -171.59 160.1 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.42 176.04 52.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -115.9 82.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -175.69 102.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 109.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.43 -74.24 0.21 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.487 1.117 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -45.23 138.84 3.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.49 104.55 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.5 t -137.49 127.72 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 49.6 p90 -83.97 169.18 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -179.26 92.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -70.17 151.44 45.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -120.86 -39.26 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.27 -175.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD13 ' CD2' ' A' ' 28' ' ' TYR . 13.3 mt -105.27 118.14 35.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -85.73 -29.59 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.566 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -153.89 162.37 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.278 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -136.75 122.23 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 6.3 mmt180 -140.18 176.66 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 25' ' ' ARG . 3.7 mp -131.04 145.49 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -95.58 -58.75 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.225 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -171.19 51.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.231 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.23 -38.96 2.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 21' ' ' ILE . 4.7 mtt85 -87.42 148.2 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.436 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -102.2 106.5 17.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -100.18 136.45 40.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.118 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.684 ' CD2' HD13 ' A' ' 16' ' ' LEU . 32.2 m-85 -122.99 140.27 53.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CB ' ' A' ' 18' ' ' LYS . 4.6 mt -66.04 93.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.787 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -62.46 147.94 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.753 ' HD3' HD21 ' A' ' 17' ' ' LEU . 46.1 tptt -106.48 87.45 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.787 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 -59.89 114.98 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.72 179.77 5.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.54 -69.82 1.14 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.417 1.073 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CD1' ' O ' ' A' ' 35' ' ' TRP . 0.1 OUTLIER -113.43 141.46 47.06 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.8 p -122.42 58.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.64 133.58 43.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tptt 76.39 175.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -85.92 14.92 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t 73.12 -165.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.0 p -129.85 174.75 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 85.1 m95 -106.46 99.32 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -90.39 149.96 42.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.47 35.62 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.479 1.778 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.728 ' OE2' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.76 -33.69 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.32 -13.89 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.53 -26.15 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 16' ' ' LEU . 29.7 mm -58.12 104.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.78 8.01 21.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 57.0 m-20 -94.78 33.18 1.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.15 -54.49 2.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.14 -42.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.74 -44.74 55.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.728 HD13 ' OE2' ' A' ' 45' ' ' GLU . 20.0 mt -45.65 -39.97 8.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.67 -42.72 89.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -73.07 -55.26 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -43.64 -52.87 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.62 -54.1 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.5 126.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.88 178.05 44.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.16 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.444 1.76 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.68 -53.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.3 p 39.51 90.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 109.941 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t 40.57 81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 m 49.48 92.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.95 -175.81 50.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.451 1.094 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -137.93 165.66 25.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.01 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -127.34 130.55 49.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.54 -165.59 29.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.597 1.186 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -40.46 114.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -99.84 101.9 13.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 51.4 t 62.02 145.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.238 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -86.88 168.13 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 111.054 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -179.43 72.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.95 141.86 58.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -117.3 -36.69 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.46 -174.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 57' ' ' PHE . 14.2 mt -107.1 132.01 53.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.914 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -101.31 -26.4 13.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 1.076 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.633 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -153.93 162.46 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -143.03 109.99 5.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -142.82 172.97 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' ARG . 3.7 mp -102.03 127.88 55.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -69.04 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 2.2 tttt -165.79 44.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.85 -37.0 1.38 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -112.53 167.3 10.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.2 mtt -97.56 122.45 40.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.173 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -116.81 140.43 49.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.625 ' CD2' HD13 ' A' ' 16' ' ' LEU . 27.2 m-85 -115.3 142.85 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.0 mt -70.91 83.19 0.66 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.808 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.8 p -55.55 144.91 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.914 ' HD3' HD21 ' A' ' 17' ' ' LEU . 10.2 tptp -100.86 89.9 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.808 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 -62.21 145.74 52.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 108.033 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -103.41 119.89 39.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.24 -65.17 0.52 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -83.88 132.04 34.82 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.69 160.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 3.7 tt0 -51.78 99.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER 165.1 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 109.251 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LYS . 27.9 m-85 35.88 48.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' HD22 ' A' ' 29' ' ' LEU . 1.9 m -87.62 -179.15 6.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 p -138.06 162.18 34.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 86.0 m95 -105.76 98.48 8.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -100.12 151.38 37.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.6 36.77 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -50.9 -38.04 47.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -16.9 32.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -102.89 -33.11 9.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.449 ' CG2' HD21 ' A' ' 16' ' ' LEU . 25.7 mm -53.23 106.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -86.56 9.7 17.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 54.3 m-20 -95.35 33.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.36 -55.26 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.69 -42.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.37 -46.29 49.93 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -45.04 -39.62 5.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.07 -44.58 74.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -74.43 -54.48 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.709 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -42.36 -45.05 4.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 110.946 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.85 -58.8 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -139.04 130.65 27.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.23 157.29 27.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.55 22.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -110.62 79.62 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.952 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.0 p -47.01 -33.03 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.514 1.134 . . . . 0.0 110.937 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -132.3 -58.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.83 85.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.05 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.23 -117.3 1.35 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.16 88.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.68 -58.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.19 -100.01 1.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 40.56 73.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 110.234 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.78 101.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -128.94 118.95 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' HB3' ' CE2' ' A' ' 35' ' ' TRP . 51.0 p90 -43.41 131.42 4.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.04 112.47 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -55.23 151.8 9.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -131.32 -44.54 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.54 175.12 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.787 HD22 ' CB ' ' A' ' 28' ' ' TYR . 16.2 mt -101.52 136.12 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.794 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -101.84 -41.07 6.64 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.02 159.71 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -141.97 121.99 13.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 42' ' ' TRP . 8.1 ptt180 -171.06 -173.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.32 145.44 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -91.99 -50.14 5.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.84 38.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.11 -41.94 0.79 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.65 -179.57 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.767 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.75 152.39 18.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -155.32 177.88 10.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.787 ' CB ' HD22 ' A' ' 16' ' ' LEU . 34.4 m-85 -140.46 150.8 44.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -79.57 84.57 5.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' CG2' ' CB ' ' A' ' 13' ' ' ALA . 6.3 p -50.52 147.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.794 ' HD3' HD21 ' A' ' 17' ' ' LEU . 46.3 tptt -109.18 79.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -48.39 145.65 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.65 109.77 21.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.63 54.96 8.46 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.457 ' CE2' ' HB3' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -165.97 122.38 1.34 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 41.23 63.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -76.84 159.51 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.39 -60.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -86.79 49.77 1.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.51 -161.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 p -139.34 170.26 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 85.8 m95 -108.9 117.86 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -119.86 152.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.35 28.81 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.563 1.823 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 0.4 OUTLIER -48.29 -31.34 5.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.93 -32.06 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' ILE . 3.5 m-20 -93.12 -34.86 13.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.581 HD12 HD21 ' A' ' 16' ' ' LEU . 28.2 mm -40.47 108.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -77.07 -3.52 39.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 65.7 m-20 -92.73 33.07 1.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.16 -50.91 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.92 -40.49 2.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.59 -43.98 52.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 54' ' ' LEU . 15.1 mt -45.82 -36.53 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.88 -54.46 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.27 3.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.624 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -39.42 -53.16 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.62 -58.95 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.9 t -178.62 127.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.86 -176.34 50.11 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 81.26 2.26 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.62 132.45 53.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.71 139.85 30.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.443 1.09 . . . . 0.0 111.01 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -42.6 159.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.414 0.714 . . . . 0.0 109.966 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -161.66 128.79 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 110.002 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.51 156.64 12.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -159.11 136.63 10.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 110.05 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.05 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.076 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.17 -177.7 4.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -77.63 150.12 34.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -156.35 77.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 67.0 t -133.05 123.82 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 8.9 p90 -62.55 129.93 42.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.0 87.19 2.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.43 142.56 39.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -118.6 -38.54 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.27 -175.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.62 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.4 mt -105.04 137.15 43.23 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.592 1.183 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.792 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -105.07 -27.4 11.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.576 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -154.67 161.59 41.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 2.4 ttt180 -135.92 110.64 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -143.77 177.29 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.685 HG23 ' O ' ' A' ' 25' ' ' ARG . 58.8 mt -99.17 141.53 16.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -64.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.31 48.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.07 -40.11 1.38 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 21' ' ' ILE . 7.4 mtt180 -112.05 171.8 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 110.267 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.89 153.21 21.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 11.6 mt-10 -149.16 169.08 21.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.62 ' CD2' HD13 ' A' ' 16' ' ' LEU . 52.9 m-85 -144.69 145.69 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD12 ' CB ' ' A' ' 18' ' ' LYS . 5.5 mt -74.09 84.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 p -56.36 145.5 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.792 ' HD3' HD21 ' A' ' 17' ' ' LEU . 29.3 tptt -101.88 81.12 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 11' ' ' PHE . 41.4 m95 -48.97 154.8 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -115.29 130.73 56.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.79 64.15 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -145.01 -56.96 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 38' ' ' LYS . 1.3 t -178.68 74.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' C ' ' CG ' ' A' ' 38' ' ' LYS . 3.5 mp0 -63.94 76.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.0 OUTLIER 171.26 -41.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -92.72 32.76 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.424 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -44.81 168.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.4 p -136.34 166.85 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.479 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 89.6 m95 -101.31 127.22 48.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 108.025 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -129.13 151.1 77.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 144.99 31.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.21 -30.99 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -49.65 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -74.33 -36.37 63.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -50.8 110.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -89.91 11.84 19.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 29.3 m-20 -100.15 32.06 3.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.6 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.9 -54.41 2.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -42.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -72.02 -46.26 57.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.217 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.1 mt -48.03 -37.15 14.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.25 -59.98 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' PHE . . . -61.39 -56.46 20.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.506 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.2 t80 -37.84 -56.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.63 -54.85 41.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.64 98.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.48 -149.95 5.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.169 . . . . 0.0 111.021 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.77 3.87 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.02 113.38 25.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.1 p -177.21 118.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.964 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -140.51 124.4 17.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -118.55 136.55 53.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.34 101.77 0.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.074 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t 46.86 81.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 0.77 . . . . 0.0 109.936 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.509 ' HB2' HG21 ' A' ' 10' ' ' VAL . 61.4 m -99.74 -56.51 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.64 -130.4 1.11 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.41 120.04 35.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 49.14 83.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 10' ' ' VAL . 49.0 t -91.61 42.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -38.83 158.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.04 66.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.16 148.58 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -127.25 -43.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 110.234 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.8 179.81 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.747 HD13 ' CD2' ' A' ' 28' ' ' TYR . 26.4 mt -104.16 136.68 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.839 HD21 ' HD3' ' A' ' 31' ' ' LYS . 2.7 mt -102.97 -49.57 3.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.56 161.78 31.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 1.3 ttp180 -145.46 112.75 6.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 110.374 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -147.93 177.29 9.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.43 133.05 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.85 -65.72 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.36 -63.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.82 24.45 0.82 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -119.79 148.82 42.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 0.802 . . . . 0.0 110.239 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.94 111.38 23.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 38.0 mt-10 -125.56 161.54 26.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.747 ' CD2' HD13 ' A' ' 16' ' ' LEU . 24.9 m-85 -139.76 140.57 36.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.589 HD22 ' HB2' ' A' ' 40' ' ' SER . 1.8 mt -68.06 78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.753 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 p -48.7 149.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.839 ' HD3' HD21 ' A' ' 17' ' ' LEU . 20.7 tptp -105.76 74.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.753 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 42.5 m95 -47.82 142.77 4.52 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -57.61 -179.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.47 -25.54 2.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.499 ' CD1' ' HB3' ' A' ' 36' ' ' SER . 0.0 OUTLIER -50.37 -31.54 15.01 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.499 ' HB3' ' CD1' ' A' ' 35' ' ' TRP . 1.0 OUTLIER -150.14 103.67 3.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -98.12 -56.84 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.55 34.68 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.198 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -144.07 55.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.589 ' HB2' HD22 ' A' ' 29' ' ' LEU . 7.2 p -81.06 161.67 24.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.562 ' O ' HD23 ' A' ' 29' ' ' LEU . 49.4 p -140.07 177.22 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 85.2 m95 -111.5 102.01 10.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 0.0 108.017 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 5.6 mm-40 -101.17 150.92 37.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 144.21 30.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.485 1.781 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.835 ' OE2' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -51.14 -35.0 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -10.65 32.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.3 -23.26 11.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 50' ' ' ASP . 22.8 mm -58.08 110.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 mt -91.7 21.39 4.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 22.7 m-20 -113.8 33.15 5.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.46 -53.73 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.38 -41.39 0.93 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.63 1.206 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -74.03 -45.25 50.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.836 HD12 ' HA ' ' A' ' 51' ' ' ALA . 6.0 mt -44.89 -38.79 4.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.33 -46.17 83.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -68.43 -57.74 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.577 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.74 -52.09 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.41 -50.19 41.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 m -127.22 96.33 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.043 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.76 -170.21 3.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 99.86 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.5 p -129.13 150.65 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.025 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.85 158.08 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.133 . . . . 0.0 110.031 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.044 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -176.88 147.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 p -125.55 90.64 3.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.947 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.0 -147.37 5.11 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -151.04 -48.61 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 0.736 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.29 134.91 16.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.06 -168.77 33.56 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 65.99 104.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.252 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.69 91.5 3.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -135.57 127.82 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -76.87 131.66 38.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -142.69 103.97 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.361 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.52 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -84.95 138.96 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.75 -41.22 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.94 178.54 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.0 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.4 mt -101.63 107.12 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.815 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.4 mt -73.21 -30.03 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -151.92 163.13 39.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.513 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -141.59 109.73 5.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 10.7 mtt180 -146.46 173.77 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.9 mt -91.62 148.61 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.14 62.26 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? 45.68 33.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.85 -86.6 0.07 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.28 160.28 14.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.436 0.727 . . . . 0.0 110.327 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.1 mtt -67.42 152.6 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 20.8 mt-10 -152.16 169.44 22.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 1.0 ' CD2' HD13 ' A' ' 16' ' ' LEU . 14.6 m-85 -142.66 150.81 40.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 41' ' ' THR . 5.7 mt -81.06 81.18 7.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.52 HG23 ' HB1' ' A' ' 13' ' ' ALA . 6.6 p -56.55 141.09 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.815 ' HD3' HD21 ' A' ' 17' ' ' LEU . 18.8 tptm -96.13 76.58 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 -44.61 148.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -121.04 111.72 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.28 -62.62 0.46 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.49 ' C ' ' CD1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -127.48 165.82 19.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 t -178.72 126.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.62 -59.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -179.17 -69.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -97.82 30.77 2.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.718 ' HB3' HD22 ' A' ' 29' ' ' LEU . 44.2 t 64.65 -165.08 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.834 ' O ' HD23 ' A' ' 29' ' ' LEU . 17.2 p -140.04 176.06 9.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 20' ' ' ARG . 76.8 m95 -116.86 106.1 13.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 108.012 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -103.76 154.79 37.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 141.46 27.05 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.451 1.764 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' OE2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -50.37 -32.82 18.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -16.89 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.343 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -26.21 12.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.497 HG23 HD21 ' A' ' 16' ' ' LEU . 25.6 mm -57.19 108.07 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.0 mt -90.66 17.27 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 69.2 m-20 -104.91 33.12 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.81 -54.95 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -42.35 0.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.14 -46.62 49.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 51' ' ' ALA . 2.7 mt -44.61 -38.73 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.36 70.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.27 60.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -37.8 -50.09 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.72 -57.43 3.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.82 167.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.74 -177.34 53.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.049 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 119.59 5.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.0 p -136.3 154.23 50.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.597 1.185 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 m -152.13 121.48 6.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 0.777 . . . . 0.0 110.026 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m 65.45 86.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.64 155.55 17.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.567 1.167 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.72 91.95 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.0 85.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.16 144.74 0.16 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.76 83.89 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -104.7 87.38 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.9 t -140.82 128.27 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -94.99 153.19 17.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.69 124.6 4.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -54.46 153.96 5.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -134.61 -45.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.98 -179.06 6.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD22 ' CB ' ' A' ' 28' ' ' TYR . 14.2 mt -109.84 121.74 45.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD11 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -94.42 -18.7 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.798 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -162.41 161.73 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 4.2 ttp180 -144.95 110.25 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -142.05 172.99 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.751 HG23 ' O ' ' A' ' 25' ' ' ARG . 55.5 mt -115.88 133.93 60.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -80.78 -70.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.66 -70.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.37 25.19 1.86 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.751 ' O ' HG23 ' A' ' 21' ' ' ILE . 1.5 mtt-85 -125.73 158.67 34.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 110.383 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.63 114.79 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.559 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 41.0 mt-10 -122.62 164.51 18.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.741 ' CB ' HD22 ' A' ' 16' ' ' LEU . 8.0 m-85 -143.2 155.02 44.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.7 mt -77.47 84.08 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 32' ' ' TRP . 2.0 p -56.89 144.31 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.699 ' HD3' HD11 ' A' ' 17' ' ' LEU . 13.8 tptp -103.98 72.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.576 ' CE2' HG11 ' A' ' 30' ' ' VAL . 39.7 m95 -43.61 142.23 1.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.551 1.157 . . . . 0.0 107.978 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -86.74 127.71 34.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.347 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.39 56.2 1.96 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.454 ' CD1' ' C ' ' A' ' 35' ' ' TRP . 0.1 OUTLIER -169.59 127.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t 41.73 69.95 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 37' ' ' GLN . 5.0 pt20 -93.03 61.35 3.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.57 1.168 . . . . 0.0 110.309 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 pttp 174.76 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.55 50.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.437 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -54.73 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.719 ' O ' HD23 ' A' ' 29' ' ' LEU . 60.4 p -141.11 -177.02 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.37 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -111.58 109.19 18.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 107.964 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 79.7 mm-40 -98.89 151.49 37.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.33 30.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -55.66 -18.51 8.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -81.14 -10.15 59.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -106.15 -32.96 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.484 ' CG2' HD11 ' A' ' 54' ' ' LEU . 47.5 mm -41.94 110.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.7 mt -91.37 2.65 56.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.125 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -102.61 33.51 3.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.77 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.18 -51.99 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -39.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.062 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.56 -45.2 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 51' ' ' ALA . 27.1 mt -44.35 -36.64 2.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.32 73.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.6 55.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -45.32 -55.19 6.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.98 -54.59 17.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.39 174.94 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.55 -147.28 16.49 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 74.23 4.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 p -109.48 172.17 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.3 m -108.78 -57.63 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.81 170.06 3.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.77 162.87 28.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.71 95.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.531 1.144 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' GLY . 13.7 t -128.09 -53.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 m 67.02 -71.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -146.22 -103.1 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -129.43 91.97 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.27 91.26 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.7 t -133.42 125.25 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 34.1 p90 -78.66 137.15 37.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.18 87.42 0.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -55.19 155.93 4.5 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -122.68 -40.6 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.591 1.182 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.44 -178.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.669 HD13 ' CD2' ' A' ' 28' ' ' TYR . 15.7 mt -105.44 111.76 24.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.876 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -76.05 -41.98 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -143.16 166.6 24.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 3.1 ttt180 -137.07 129.93 30.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD2' ' CH2' ' A' ' 42' ' ' TRP . 3.0 mtt-85 -155.4 172.62 17.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 25' ' ' ARG . 4.2 mp -110.08 142.64 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -87.25 -57.17 3.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.63 51.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.09 -39.38 1.82 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -99.96 158.88 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 110.288 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.67 131.07 39.34 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 16.4 mt-10 -122.81 160.69 25.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.669 ' CD2' HD13 ' A' ' 16' ' ' LEU . 16.2 m-85 -145.13 143.86 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 41' ' ' THR . 3.7 mt -70.05 79.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.429 HG23 ' HB1' ' A' ' 13' ' ' ALA . 7.8 p -50.68 148.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.876 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.6 tptt -106.01 88.43 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 11' ' ' PHE . 38.0 m95 -64.04 143.35 57.93 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.73 116.95 29.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.93 -64.2 0.51 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -81.23 -51.5 8.34 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.0 m 60.83 121.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 39.73 69.39 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.45 -74.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.61 34.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -73.95 155.14 38.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.95 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.718 ' O ' HD23 ' A' ' 29' ' ' LEU . 75.7 p -145.57 -175.92 4.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.552 ' CH2' ' HD2' ' A' ' 20' ' ' ARG . 89.4 m95 -112.25 112.5 24.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.026 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -111.67 152.96 44.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 138.49 23.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -35.81 3.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.78 -50.25 68.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -73.54 -39.99 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.6 mm -42.28 116.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.57 24.67 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.567 ' H ' HG22 ' A' ' 48' ' ' ILE . 26.7 m-20 -113.74 33.06 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.491 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -41.16 -54.44 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -38.84 -40.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.08 -50.12 21.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -44.59 -37.37 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -63.89 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.157 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.55 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -42.64 -59.48 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.038 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.58 -55.29 21.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.96 115.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.32 177.67 41.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -49.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.43 1.753 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.6 m -96.45 109.64 22.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.04 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t -107.52 140.02 41.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.88 154.66 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -47.66 144.11 3.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.1 168.42 19.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.15 167.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.45 77.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.67 -150.4 19.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -102.35 141.73 34.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 110.265 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.85 92.85 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t 65.02 144.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 17.8 p90 -143.71 119.94 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.98 62.8 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 109.349 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.37 153.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.256 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -134.41 -45.3 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.238 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.43 -176.86 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD12 ' HD2' ' A' ' 57' ' ' PHE . 15.9 mt -103.82 135.74 44.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.908 HD21 ' HD3' ' A' ' 31' ' ' LYS . 3.2 mt -104.27 -32.8 8.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.563 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -147.48 162.69 38.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 3.5 ttp180 -147.99 111.72 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.78 165.78 25.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.702 HG23 ' O ' ' A' ' 25' ' ' ARG . 2.9 mp -126.73 135.25 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -82.14 -69.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -117.98 -69.42 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.9 40.48 1.13 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.702 ' O ' HG23 ' A' ' 21' ' ' ILE . 66.5 mtt180 -127.96 165.67 19.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 0.732 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.04 104.59 10.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -114.18 156.88 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.603 1.19 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.817 ' CD2' HD13 ' A' ' 16' ' ' LEU . 46.2 m-85 -142.02 139.44 32.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.563 HD12 ' HB2' ' A' ' 18' ' ' LYS . 3.5 mt -70.15 81.77 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.558 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 8.4 p -52.01 147.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.908 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.4 tptp -101.99 88.47 3.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 -59.92 143.43 51.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -95.08 113.14 24.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.92 -56.69 0.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -98.53 97.42 8.73 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.8 p -44.7 104.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 54.76 172.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 39' ' ' TYR . 29.9 mttt 63.81 -172.97 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LYS . 26.3 m-85 35.93 49.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.453 ' CB ' HD22 ' A' ' 29' ' ' LEU . 14.4 m -107.23 172.34 6.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.412 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 33.3 p -134.87 167.68 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.458 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 91.1 m95 -107.13 105.04 14.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -104.25 150.91 38.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 146.97 33.13 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -29.57 21.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -11.19 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -109.41 -29.88 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mm -56.67 106.59 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 mt -87.31 11.25 14.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 45.8 m-20 -98.48 33.05 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.5 -55.11 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -38.6 -42.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.52 41.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 51' ' ' ALA . 3.7 mt -44.89 -38.27 4.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.09 -52.36 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.315 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.89 86.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.826 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -52.09 -53.27 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.42 -57.84 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.74 110.93 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.36 161.54 54.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 137.39 21.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 t -153.67 99.61 2.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.163 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.82 138.02 4.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.85 -58.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -140.97 129.26 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.59 163.26 17.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -164.57 135.65 4.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.944 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.69 111.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.177 . . . . 0.0 109.962 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.64 85.63 0.13 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -141.2 122.4 14.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -175.37 93.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.2 t -131.79 126.1 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 32' ' ' TRP . 11.5 m-85 -76.06 139.55 41.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.438 1.086 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.5 63.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -52.22 151.75 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.74 -41.61 2.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.2 -176.11 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.921 HD13 ' CD2' ' A' ' 28' ' ' TYR . 11.7 mt -99.03 136.87 38.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.809 HD21 ' HD3' ' A' ' 31' ' ' LYS . 4.4 mt -106.07 -28.76 10.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.54 ' HB2' HD12 ' A' ' 29' ' ' LEU . 1.9 ttmm -151.32 159.17 44.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -147.68 117.5 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.566 ' HG2' ' CH2' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -150.11 -177.15 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.8 mp -129.12 121.06 53.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -60.71 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -122.28 -69.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.35 31.02 1.06 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.31 171.03 10.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.98 104.27 10.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.446 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 67.1 mt-10 -118.02 153.36 33.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.921 ' CD2' HD13 ' A' ' 16' ' ' LEU . 6.9 m-85 -135.58 147.37 48.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.552 ' HG ' ' CZ2' ' A' ' 42' ' ' TRP . 9.2 mt -74.68 86.95 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.77 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 2.7 p -55.44 145.34 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.809 ' HD3' HD21 ' A' ' 17' ' ' LEU . 28.7 tptt -101.16 94.66 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.77 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.4 m95 -68.42 138.91 55.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 107.969 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -80.11 113.78 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 38.24 63.73 0.91 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.435 ' CD1' ' C ' ' A' ' 35' ' ' TRP . 0.1 OUTLIER -163.91 -45.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 t -41.49 -68.15 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 109.961 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 60.36 59.9 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.229 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' TYR . 8.3 mttm 67.1 170.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' LYS . 26.9 m-85 36.13 62.91 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.406 ' HB3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -63.49 -154.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 29' ' ' LEU . 24.2 p -124.0 163.12 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 91.6 m95 -112.21 97.5 6.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -92.5 152.02 41.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.3 26.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.663 ' OE2' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.31 -36.03 40.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.73 -11.66 47.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -108.29 -25.52 10.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.486 HD12 ' CD2' ' A' ' 16' ' ' LEU . 20.9 mm -51.76 108.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.8 mt -89.98 16.44 8.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 41.9 m-20 -104.39 32.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.376 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.44 -54.74 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -42.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.45 -45.85 51.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.9 mt -45.16 -37.64 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.85 -43.0 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.235 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -75.1 -61.04 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.675 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -42.51 -48.12 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.421 1.076 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.25 -58.76 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.53 96.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.07 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.84 157.31 28.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 78.13 2.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.3 m -156.78 -61.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -57.39 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.516 1.135 . . . . 0.0 111.059 -179.888 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -131.74 -58.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.71 121.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.79 -58.69 0.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -55.49 149.67 13.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.056 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.8 165.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.05 126.53 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.54 98.99 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 48.78 87.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 1.066 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.0 t -133.84 127.41 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 35.9 p90 -114.61 126.13 54.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.4 119.88 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -81.53 146.49 30.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.22 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.66 -38.7 2.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.79 -176.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.925 HD13 ' CD2' ' A' ' 28' ' ' TYR . 38.4 mt -107.42 120.57 42.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.762 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -87.09 -15.63 37.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.619 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -165.75 162.41 18.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -133.36 126.86 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.235 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' C ' HD12 ' A' ' 21' ' ' ILE . 2.4 mtt180 -137.75 179.66 6.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.39 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.623 HD12 ' C ' ' A' ' 20' ' ' ARG . 4.1 mp -129.77 135.43 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 2.1 tpt180 -93.72 59.39 2.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 3.8 mtmt 81.01 -54.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.49 -44.13 0.13 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' HG23 ' A' ' 21' ' ' ILE . 21.6 mtm180 -75.89 161.37 29.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.82 139.59 34.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -135.18 151.84 51.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.925 ' CD2' HD13 ' A' ' 16' ' ' LEU . 55.0 m-85 -141.36 159.63 41.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 18' ' ' LYS . 6.3 mt -86.72 90.73 8.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 10.0 p -58.92 145.33 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.762 ' HD3' HD21 ' A' ' 17' ' ' LEU . 21.0 tptm -107.08 79.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.577 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.8 m95 -47.77 134.9 12.53 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -68.99 116.36 9.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.86 62.73 0.97 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' A' ' 36' ' ' SER . 0.0 OUTLIER 179.8 159.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.599 ' N ' ' CD1' ' A' ' 35' ' ' TRP . 75.7 p -177.88 87.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -40.5 -41.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -178.22 112.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.089 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' LYS . 28.5 m-85 36.14 41.97 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t 56.42 -172.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p -141.64 167.44 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CZ2' ' HG ' ' A' ' 29' ' ' LEU . 82.9 m95 -106.85 114.68 28.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.987 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -115.96 151.23 46.25 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 110.232 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.41 31.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -32.21 7.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.87 -31.8 70.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -93.4 -36.05 12.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.25 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.468 HD12 HD21 ' A' ' 16' ' ' LEU . 23.6 mm -41.89 113.69 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.59 7.29 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 21.4 m-20 -105.35 33.21 3.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.84 -53.18 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -39.88 -41.14 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.47 -44.95 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' ALA . 19.9 mt -45.37 -38.14 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -60.81 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.28 -60.59 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.604 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -37.89 -52.41 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.03 -55.54 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -177.33 132.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.46 164.74 24.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 65.98 6.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.0 t -145.82 -70.13 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.413 1.071 . . . . 0.0 110.034 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.34 9.27 23.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.0 p -171.25 111.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -150.63 125.97 10.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.16 -136.98 2.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.16 156.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 0.798 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -90.33 144.04 26.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.17 63.4 0.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.89 74.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 0.73 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.33 98.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -136.62 128.14 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -90.81 145.46 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -162.63 67.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -44.61 153.89 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.49 -44.02 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.228 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' N ' ' OD2' ' A' ' 50' ' ' ASP . . . -163.45 -179.81 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.778 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.1 mt -109.65 123.84 50.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.899 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -89.43 -37.88 14.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -143.75 163.55 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 2.2 ttt180 -141.44 119.2 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.43 1.081 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.69 175.76 10.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.632 HG23 ' O ' ' A' ' 25' ' ' ARG . 54.0 mt -104.37 146.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -115.84 84.92 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 85.86 -49.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.58 -42.53 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.11 156.64 35.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.6 mtt -89.19 147.55 24.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 9.1 mt-10 -143.35 163.75 32.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.778 ' CD2' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 -140.83 137.93 33.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 2.1 mt -67.23 79.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' HB1' ' A' ' 13' ' ' ALA . 7.5 p -49.72 150.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.899 ' HD3' HD21 ' A' ' 17' ' ' LEU . 27.6 tptt -110.6 83.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.432 ' NE1' ' OG1' ' A' ' 41' ' ' THR . 40.9 m95 -51.43 122.13 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 107.98 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -56.65 144.41 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.19 -52.09 4.58 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -53.71 173.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.45 -171.81 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 65.06 -174.47 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 38.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -111.04 61.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -167.31 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.432 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 34.4 p -134.42 168.48 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 82.8 m95 -106.68 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 49.2 mm-40 -133.6 151.02 76.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.4 Cg_endo -75.01 140.02 24.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.564 1.823 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -45.08 -27.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.4 1.063 . . . . 0.0 110.251 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.56 -40.55 97.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.4 m-20 -83.18 -33.31 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.548 ' HB ' HD11 ' A' ' 54' ' ' LEU . 46.8 mm -44.61 113.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.377 1.048 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -83.8 -3.71 58.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 68.5 m-20 -92.69 33.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 54' ' ' LEU . . . -40.03 -55.37 2.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.7 -44.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -71.15 -47.5 57.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.383 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.548 HD11 ' HB ' ' A' ' 48' ' ' ILE . 14.7 mt -43.2 -36.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.15 -53.09 58.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.04 99.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.579 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -51.99 -52.26 51.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -68.49 -57.12 6.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.3 t 49.61 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.39 158.2 51.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -39.45 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 t -95.26 -57.76 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 m -169.84 132.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 111.047 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -170.28 119.44 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 0.717 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -144.22 104.21 4.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.19 -168.91 47.3 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p 178.96 101.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 0.728 . . . . 0.0 109.968 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -57.37 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.99 138.53 2.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.429 1.08 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 62.86 164.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 tpt85 55.74 85.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -136.07 128.63 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 11' ' ' PHE . 17.3 p90 -126.95 108.65 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.48 107.93 5.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.05 131.83 19.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -113.99 -33.65 5.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -175.53 -177.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 48' ' ' ILE . 13.2 mt -107.03 139.36 41.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -105.56 -33.39 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.559 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -147.27 166.98 25.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 4.2 ttp180 -144.53 109.86 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.226 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -144.66 176.0 9.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 25' ' ' ARG . 48.2 mt -104.41 136.72 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.77 48.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.51 18.81 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.43 -87.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -99.98 177.34 5.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.28 146.02 35.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -148.0 154.96 40.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CB ' HD22 ' A' ' 16' ' ' LEU . 18.1 m-85 -136.99 137.92 39.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 18' ' ' LYS . 2.4 mt -65.38 88.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -56.58 146.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.91 ' HD3' HD21 ' A' ' 17' ' ' LEU . 9.9 tptm -108.45 98.48 8.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -67.51 131.25 45.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 108.015 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.85 148.68 48.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.21 -67.78 1.99 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.7 m95 -71.18 114.67 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.6 p -62.8 -81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.08 165.06 11.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' TYR . 7.2 mttt 71.85 -167.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' LYS . 28.0 m-85 36.27 61.62 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.45 162.88 33.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.425 ' O ' HD23 ' A' ' 29' ' ' LEU . 72.9 p -138.86 -179.52 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 84.9 m95 -109.9 99.1 8.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.22 147.17 34.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.237 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 150.72 38.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.81 -16.83 12.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -81.56 -2.55 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -135.74 41.64 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 16' ' ' LEU . 19.9 mm -101.54 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.11 -16.46 62.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -91.89 33.48 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.45 -37.15 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.12 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -77.89 -35.95 50.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.418 1.074 . . . . 0.0 109.398 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.742 ' CG ' HG21 ' A' ' 48' ' ' ILE . 23.2 mt -49.78 -39.83 39.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.15 -39.95 73.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.6 -66.47 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -38.37 -50.36 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.597 1.186 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.6 -58.93 3.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.43 106.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 1.086 . . . . 0.0 109.95 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.05 -145.42 4.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.41 43.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.28 77.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 t -40.35 146.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 110.933 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.3 101.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.36 -58.78 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.69 154.67 23.26 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -129.56 103.81 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 t 47.22 82.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.38 -179.04 17.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.573 1.171 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.12 168.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.12 102.04 4.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.9 t 63.39 125.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 10.5 p90 -136.44 121.75 19.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 33' ' ' LYS . . . -125.57 85.03 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.57 137.8 46.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.204 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -117.72 -46.31 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -161.68 -174.03 4.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.563 HD21 ' OD2' ' A' ' 50' ' ' ASP . 9.6 mt -110.13 141.05 43.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.7 mt -104.84 -34.43 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.541 ' CD ' ' CE2' ' A' ' 28' ' ' TYR . 2.1 ttp85 -142.17 112.67 7.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -142.5 172.28 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 25' ' ' ARG . 48.1 mt -117.19 137.65 50.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -65.47 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -71.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.2 17.65 2.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 21' ' ' ILE . 6.5 mtt-85 -121.68 151.13 40.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.54 111.92 23.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' GLU . 52.1 mt-10 -116.97 140.76 49.09 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.395 1.06 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' CD ' ' A' ' 19' ' ' ARG . 5.1 m-85 -124.47 149.1 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 41' ' ' THR . 3.0 mt -76.32 85.67 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 p -55.06 152.16 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD3' HD21 ' A' ' 17' ' ' LEU . 32.3 tptt -111.34 87.47 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 11' ' ' PHE . 45.7 m95 -54.38 148.47 11.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.044 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 16.3 mttt -40.3 153.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -41.82 -32.95 1.01 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -44.53 124.46 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 p -86.46 126.52 34.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.954 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -158.63 -44.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -129.43 160.63 32.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -89.23 26.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t 73.65 157.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.549 ' O ' HD23 ' A' ' 29' ' ' LEU . 73.8 p -141.17 -178.25 5.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 110.4 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 82.1 m95 -106.88 106.28 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 6.1 mm-40 -99.02 150.96 37.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 144.94 30.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -53.18 -27.85 23.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.75 -12.24 60.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 1.057 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -105.19 -27.78 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.575 ' CG2' HD11 ' A' ' 54' ' ' LEU . 39.1 mm -49.08 116.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -96.63 1.24 50.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.563 ' OD2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -100.94 33.19 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.235 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.865 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.17 -52.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.73 -40.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.13 -45.34 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 51' ' ' ALA . 18.3 mt -44.12 -38.11 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.48 -44.81 80.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.75 -51.34 19.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.7 t80 -49.18 -59.41 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.96 -54.94 22.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 64.51 172.69 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.1 -166.13 29.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.431 1.753 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.0 m 62.6 117.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -106.74 154.64 20.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.922 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.172 . . . . 0.0 111.005 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -156.97 96.83 1.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.767 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.63 126.7 4.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.38 -114.57 0.62 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.582 1.176 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.17 165.79 25.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -112.56 118.8 36.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.27 158.4 19.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.34 89.81 3.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 0.791 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 52.33 87.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.1 t -138.35 127.95 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -71.05 149.27 46.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.33 74.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -56.79 152.22 12.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.19 -42.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.4 -179.05 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.843 HD13 ' CD2' ' A' ' 28' ' ' TYR . 16.7 mt -101.13 128.9 47.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.846 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.2 mt -97.57 -29.84 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.537 ' CB ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -156.13 161.19 40.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 4.6 ttt180 -136.84 117.79 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HG3' ' CH2' ' A' ' 42' ' ' TRP . 1.9 mmt180 -135.23 167.19 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 25' ' ' ARG . 4.2 mp -126.27 116.93 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -94.96 111.04 22.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.43 -78.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.39 45.41 0.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.831 ' O ' HG23 ' A' ' 21' ' ' ILE . 1.6 mpt_? -132.71 161.24 34.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.421 0.718 . . . . 0.0 110.26 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mtt -114.56 101.23 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 55.6 mt-10 -118.68 156.58 29.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.843 ' CD2' HD13 ' A' ' 16' ' ' LEU . 9.6 m-85 -136.96 143.25 42.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.196 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD12 ' CB ' ' A' ' 18' ' ' LYS . 4.2 mt -68.45 86.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.416 HG23 ' HB1' ' A' ' 13' ' ' ALA . 6.0 p -62.38 144.17 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.261 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.846 ' HD3' HD21 ' A' ' 17' ' ' LEU . 22.4 tptm -99.26 101.98 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 35' ' ' TRP . 41.6 m95 -71.02 141.57 50.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 107.99 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 131.62 53.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.29 68.25 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.451 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -103.44 173.24 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.44 -57.04 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.88 59.83 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -131.35 115.9 16.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -84.04 46.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 t 63.87 160.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.4 p -138.14 175.08 9.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 95.6 m95 -105.48 119.98 40.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.571 1.169 . . . . 0.0 108.044 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 27' ' ' GLU . 55.9 mm-40 -117.4 151.52 48.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.96 25.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.569 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -49.83 -30.85 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.93 -23.57 66.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -98.03 -30.06 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -50.46 108.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.16 19.43 5.84 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 44.5 m-20 -105.9 33.19 3.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -39.76 -54.74 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.9 mtt180 -38.5 -42.86 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -73.31 -47.93 38.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 51' ' ' ALA . 4.1 mt -44.81 -37.53 3.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.23 60.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -56.19 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -41.73 -54.3 3.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.96 -57.23 5.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.11 91.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 0.0 109.978 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.18 -178.04 22.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -49.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -83.07 -58.65 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.22 161.65 13.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -124.55 -58.59 1.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.743 . . . . 0.0 109.967 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 m 58.15 169.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.3 -120.4 1.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.64 102.09 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.97 98.32 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.74 -170.03 49.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -108.34 108.61 19.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.359 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.61 135.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.648 ' O ' HG12 ' A' ' 10' ' ' VAL . 85.2 t -130.73 43.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -42.81 121.48 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.65 87.34 2.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.81 140.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -123.97 -41.89 2.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.84 -176.68 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.589 HD12 ' HD2' ' A' ' 57' ' ' PHE . 21.1 mt -106.33 137.37 44.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.913 HD21 ' HD3' ' A' ' 31' ' ' LYS . 1.8 mt -106.05 -33.34 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.625 ' HB2' HD12 ' A' ' 29' ' ' LEU . 2.0 ttpp -141.05 160.67 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.231 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' ARG . 15.5 ttp180 -146.37 112.39 5.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -160.87 177.18 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -91.51 149.45 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -92.33 -66.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.13 32.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.337 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.57 -31.9 1.76 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -109.09 167.9 9.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 0.754 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.2 mtt -94.36 128.76 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.53 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 12.1 mt-10 -124.79 166.32 16.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 27' ' ' GLU . 15.5 m-85 -144.33 154.31 42.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 18' ' ' LYS . 5.9 mt -86.09 89.8 7.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.774 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 9.6 p -59.94 147.79 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.913 ' HD3' HD21 ' A' ' 17' ' ' LEU . 15.5 tptp -102.7 87.68 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.774 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 41.9 m95 -60.05 119.72 8.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 172.92 12.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.3 -61.5 1.83 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.063 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -113.58 146.24 40.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.79 152.47 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -79.42 144.47 34.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.25 -52.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.226 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -101.3 35.48 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.049 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 m -48.77 172.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.072 . . . . 0.0 110.058 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.8 p -131.05 170.11 14.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.508 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 m95 -111.91 97.94 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -96.83 152.6 38.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.92 34.32 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.492 1.785 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -54.87 -33.78 62.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -66.66 -11.03 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.19 -25.43 10.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.4 mm -50.5 112.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.68 3.73 49.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 3.1 m-20 -92.21 33.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -40.4 -58.46 1.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -41.1 -42.43 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.12 -43.87 55.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 54' ' ' LEU . 16.5 mt -46.34 -36.15 6.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.56 95.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -65.4 -62.44 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.589 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -38.74 -54.89 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.055 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.14 -53.14 27.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.31 88.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -132.67 -153.33 7.24 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 65.45 6.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.434 1.755 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -56.42 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 110.079 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.41 -58.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.73 158.24 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.962 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.12 165.42 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.86 150.03 40.56 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.491 1.12 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -139.11 97.85 3.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -59.05 5.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.81 -145.92 16.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.395 1.059 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.83 133.83 30.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 0.808 . . . . 0.0 110.312 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.54 91.38 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.377 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t -136.86 123.48 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.03 117.57 15.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.14 117.06 8.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.377 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.82 134.47 55.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -116.07 -34.75 4.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.81 177.5 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.832 HD22 ' CB ' ' A' ' 28' ' ' TYR . 9.1 mt -102.38 138.64 39.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.76 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -103.77 -35.64 8.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -150.04 160.91 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 4.8 ttt180 -136.98 120.4 16.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 82.8 mtt180 -158.73 169.73 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 mm -80.49 151.41 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 -64.84 1.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 48.88 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.22 -26.37 23.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.573 1.171 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.85 152.57 18.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 0.794 . . . . 0.0 110.255 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -78.66 130.65 36.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 mt-10 -135.78 162.22 33.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.832 ' CB ' HD22 ' A' ' 16' ' ' LEU . 8.1 m-85 -139.93 145.69 38.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 41' ' ' THR . 2.8 mt -69.9 86.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.23 149.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.76 ' HD3' HD21 ' A' ' 17' ' ' LEU . 4.4 tptt -110.18 80.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -51.04 127.92 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 110.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' A' ' 35' ' ' TRP . . . 82.69 53.03 3.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.47 ' CD1' ' O ' ' A' ' 34' ' ' GLY . 55.3 m95 -152.46 65.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -110.51 85.78 2.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' OE1' ' CE1' ' A' ' 39' ' ' TYR . 22.8 tt0 -161.66 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -163.45 29.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.436 ' CE1' ' OE1' ' A' ' 37' ' ' GLN . 12.0 m-85 -116.85 50.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.426 ' HB2' HD22 ' A' ' 29' ' ' LEU . 96.8 p -100.77 167.72 10.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.059 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.526 ' O ' HD23 ' A' ' 29' ' ' LEU . 41.7 p -147.33 175.82 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.421 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.507 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 93.0 m95 -113.44 119.36 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 108.048 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.91 153.92 44.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.04 140.35 25.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -47.54 -24.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.46 -37.14 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' PRO . 41.6 t-20 -76.69 -29.19 56.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 HD21 ' A' ' 16' ' ' LEU . 48.0 mm -45.43 113.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.94 -5.76 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -94.44 33.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.23 -51.96 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -40.31 -40.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.251 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -74.86 -43.85 52.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 51' ' ' ALA . 51.0 mt -45.52 -37.53 5.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.23 -42.53 81.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -72.78 -59.54 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.478 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -43.13 -47.74 6.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.49 -58.51 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.363 1.04 . . . . 0.0 110.32 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -47.09 154.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -152.34 -155.29 7.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 67.24 6.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.92 145.63 1.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.6 p -134.86 99.19 4.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m 64.11 125.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.991 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m 61.02 157.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.87 -82.16 0.74 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.142 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 p -105.95 138.47 42.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -119.62 -57.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.965 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.39 -132.23 2.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.98 166.45 10.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -71.53 97.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.2 t -136.32 126.4 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.428 ' C ' ' CD1' ' A' ' 11' ' ' PHE . 10.1 p90 -75.73 150.44 37.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.71 70.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB1' HG23 ' A' ' 30' ' ' VAL . . . -50.6 144.52 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -116.74 -35.53 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.56 -177.07 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 28' ' ' TYR . 57.3 mt -108.82 131.43 54.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.928 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -99.5 -47.16 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -128.47 161.9 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' NH1' HD11 ' A' ' 21' ' ' ILE . 3.9 ttp85 -143.39 117.54 9.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.577 ' C ' HD12 ' A' ' 21' ' ' ILE . 5.0 mtt180 -131.14 172.7 11.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' ARG . 4.2 mp -129.19 128.25 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.235 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 61.55 6.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt 77.22 -56.94 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.11 -42.05 0.26 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.657 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -75.19 169.72 17.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 0.793 . . . . 0.0 110.272 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.6 mtt -121.44 148.06 44.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.554 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 46.2 mt-10 -146.39 157.68 43.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' HD13 ' A' ' 16' ' ' LEU . 14.4 m-85 -147.6 144.89 28.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.5 mt -73.6 77.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG23 ' HB1' ' A' ' 13' ' ' ALA . 4.5 p -46.19 146.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.928 ' HD3' HD21 ' A' ' 17' ' ' LEU . 23.5 tptp -105.5 102.43 11.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 40.5 m95 -72.25 119.94 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -70.6 149.16 47.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.45 -65.67 1.05 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -80.96 114.49 19.87 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.35 141.96 6.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.92 116.39 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.168 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.39 -62.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -89.77 47.29 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HB3' HD22 ' A' ' 29' ' ' LEU . 5.0 m -74.85 -179.41 4.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.531 ' O ' HD23 ' A' ' 29' ' ' LEU . 14.4 p -147.69 174.26 11.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 20' ' ' ARG . 86.6 m95 -114.62 112.71 23.33 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -116.96 151.91 48.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ASN . 18.3 Cg_endo -75.06 140.83 25.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -42.14 -29.99 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.599 1.187 . . . . 0.0 110.324 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.54 -46.05 87.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.0 m-20 -76.4 -29.42 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.865 ' CG2' HD11 ' A' ' 54' ' ' LEU . 9.1 mm -57.73 108.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.5 mt -98.36 41.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 42.6 m-20 -120.06 33.27 5.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' ASP . . . -39.19 -55.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -38.54 -43.7 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.1 mp -74.03 -56.83 4.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.865 HD11 ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -46.64 -36.13 6.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.14 76.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.4 -46.73 25.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.424 1.077 . . . . 0.0 109.237 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.06 -54.14 3.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.94 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.71 -54.03 15.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.39 101.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.56 156.74 24.68 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 95.94 1.0 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 t -151.26 114.34 4.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.7 m -46.9 167.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -87.53 123.6 32.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 109.967 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -162.14 169.51 20.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.19 -90.84 2.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.83 -58.56 0.59 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 109.938 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.11 142.48 36.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.3 107.31 0.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.63 134.9 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.74 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ttp85 -57.63 101.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.593 1.183 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.4 t -143.04 128.33 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -61.8 148.81 41.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.86 64.97 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -48.45 146.66 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -121.76 -40.3 2.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.35 -173.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' A' ' 28' ' ' TYR . 12.7 mt -107.23 139.62 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.924 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -107.54 -33.91 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.95 162.62 41.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.562 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 5.2 ttt-85 -135.02 137.79 43.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -155.38 176.05 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 25' ' ' ARG . 5.3 mp -127.12 140.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -84.13 -60.36 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.66 51.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.23 -37.64 2.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -96.3 153.0 18.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.352 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.0 mtt -102.52 139.41 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -136.26 161.65 35.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.644 ' CD2' HD13 ' A' ' 16' ' ' LEU . 40.3 m-85 -140.08 154.19 46.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 42' ' ' TRP . 3.3 mt -79.87 82.29 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.754 HG11 ' CZ2' ' A' ' 32' ' ' TRP . 4.3 p -51.99 153.03 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.924 ' HD3' HD21 ' A' ' 17' ' ' LEU . 9.9 tptm -108.73 93.54 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.754 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 39.8 m95 -66.63 130.57 43.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 108.025 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -86.32 174.38 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.351 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.46 -61.35 3.21 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.66 130.83 52.64 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -41.95 158.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -50.12 110.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' A' ' 39' ' ' TYR . 3.8 pttt -175.76 161.21 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.392 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CD2' ' HG3' ' A' ' 38' ' ' LYS . 8.0 m-85 36.19 52.08 0.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -74.63 -175.23 2.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' NE1' ' A' ' 32' ' ' TRP . 22.8 p -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 29' ' ' LEU . 86.8 m95 -106.95 100.58 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -106.41 148.95 37.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 147.91 34.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -31.22 6.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.38 -41.39 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -81.75 -33.23 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.3 mm -53.54 110.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.41 13.22 12.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 37.4 m-20 -104.08 33.07 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.53 -55.1 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.59 -44.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -70.77 -48.43 54.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' A' ' 16' ' ' LEU . 1.2 mt -43.85 -30.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.88 -51.39 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.78 -16.52 64.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.364 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' LEU . 12.2 t80 -73.15 -59.95 2.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.44 -31.96 69.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.52 84.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.74 164.46 48.72 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 84.26 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 t -111.02 84.04 1.86 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.611 1.194 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -125.23 115.75 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.3 137.35 53.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.953 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.43 132.96 38.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.052 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.33 96.45 0.93 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.4 p -71.03 97.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -179.0 113.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.048 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.13 -101.64 1.36 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.544 1.153 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 152.58 13.04 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 0.756 . . . . 0.0 110.354 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.53 148.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -136.96 129.8 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 78.9 m-85 -53.01 103.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB3' ' HZ2' ' A' ' 35' ' ' TRP . . . -111.22 116.03 30.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' CB ' ' CG2' ' A' ' 30' ' ' VAL . . . -90.93 159.26 16.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 28.9 tt0 -118.23 -37.08 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' GLU . . . 178.39 -174.25 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' A' ' 57' ' ' PHE . 15.3 mt -103.37 129.9 50.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.825 HD21 ' HD3' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -100.5 -28.15 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' ' 29' ' ' LEU . 0.7 OUTLIER -153.69 161.0 42.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HD3' ' CE1' ' A' ' 57' ' ' PHE . 8.2 ttp180 -140.28 109.85 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.221 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -143.77 178.62 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 21' ' ' ILE . 3.5 mp -100.26 146.67 8.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -59.27 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -170.98 36.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.54 -42.89 0.86 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -104.02 156.47 17.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 0.721 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.1 ttm -88.85 127.07 35.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' CD1' ' A' ' 28' ' ' TYR . 49.2 mt-10 -120.24 170.84 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.681 ' CD2' HD13 ' A' ' 16' ' ' LEU . 11.3 m-85 -140.27 153.44 46.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 41' ' ' THR . 5.4 mt -79.92 85.76 5.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 32' ' ' TRP . 5.4 p -55.77 145.91 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.253 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.825 ' HD3' HD21 ' A' ' 17' ' ' LEU . 19.5 tptt -100.91 74.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.626 ' CE2' HG11 ' A' ' 30' ' ' VAL . 43.0 m95 -47.28 160.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.979 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' TRP . 1.2 mttt -113.42 124.45 52.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.1 -64.98 0.36 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 111.062 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' LYS . 5.9 p90 -73.59 86.99 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 p -173.58 171.07 3.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.063 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -153.86 45.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.8 -61.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -38.87 -37.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.648 ' HB3' HD22 ' A' ' 29' ' ' LEU . 45.5 t 48.49 -163.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.663 ' O ' HD23 ' A' ' 29' ' ' LEU . 40.2 p -141.41 175.09 9.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CH2' ' HB3' ' A' ' 18' ' ' LYS . 85.6 m95 -114.22 111.14 21.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -112.6 151.14 43.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.74 29.51 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.23 -27.63 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.58 -47.91 81.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -77.45 -37.13 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 50' ' ' ASP . 3.5 mm -44.75 115.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -92.89 29.07 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.387 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.566 ' H ' HG22 ' A' ' 48' ' ' ILE . 10.2 m-20 -117.17 32.78 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 54' ' ' LEU . . . -40.87 -54.64 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -38.67 -41.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -73.16 -49.7 26.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 51' ' ' ALA . 1.4 mt -45.01 -39.16 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -56.25 5.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.799 ' CD2' HD12 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -40.11 -47.34 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 111.056 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -72.83 -56.78 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.8 95.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.058 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.25 -145.45 8.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.42 2.01 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.8 88.85 3.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.3 p -64.45 146.34 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 stop_ save_